prof. RNDr. Michal OTYEPKA, Ph.D.

Zástupný obrázek
Kontaktní údaje

585634753

RCPTM vedení

CATRIN

RCPTM Uhlík

CATRIN

Šlechtitelů 27 - objekt G1 (RCPTM)

3.12

  • Vedoucí vědecko výzkumného útvaru (RCPTM vedení)
  • vědecký pracovník (RCPTM Uhlík)

molekulové modelování, počítačová chemie, chemie grafenu

VYBRANÉ PUBLIKACE
Kouloumpis A., Chronopoulos D., Potsi G., Pykal M., Vlček J., Scheibe MA., Otyepka M. One-Step Synthesis of Janus Fluorographene Derivatives. CHEMISTRY-A EUROPEAN JOURNAL. 2020. (ČLÁNEK)
Vlček J., Lapčík L., Havrdová M., Poláková K., Lapčíková B., Opletal T., Froning JP., Otyepka M. Flow induced HeLa cell detachment kinetics show that oxygen-containing functional groups in graphene oxide are potent cell adhesion enhancers. Nanoscale. 2019. (ČLÁNEK)
Blahová Prudilová B., Otyepková E., Fanrflík J., Hnyk D., Holub J., Petr M., Filip J., Čépe K., Lazar P., Otyepka M. Surface termination of MgB2 unveiled by a combination of adsorption experiments and theoretical calculations. PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 2019. (ČLÁNEK)
Pravda L., Sehnal D., Vařeková Svobodová R., Navrátilová V., Toušek D., Berka K., Otyepka M., Koča J. ChannelsDB: database of biomacromolecular tunnels and pores. NUCLEIC ACIDS RESEARCH. 2018. (ČLÁNEK)
Pravda L., Sehnal D., Toušek D., Navrátilová V., Bazgier V., Berka K., Vařeková-Svobodová R., Koča J., Otyepka M. MOLEonline: a web-based tool for analyzing channels, tunnels and pores (2018 update). NUCLEIC ACIDS RESEARCH. 2018. (ČLÁNEK)
Di Meo F., Fabre G., Berka K., Ossman T., Chantemargue B., Paloncýová M., Marquet P., Otyepka M., Trouillas P. In silico pharmacology: Drug membrane partitioning and crossing. Pharmacological Research. 2016. (ČLÁNEK)
Paloncýová M., Navrátilová V., Berka K., Laio A., Otyepka M. Role of Enzyme Flexibility in Ligand Access and Egress to Active Site: Bias-Exchange Metadynamics Study of 1,3,7-Trimethyluric Acid in Cytochrome P450 3A4. Journal of Chemical Theory and Computation. 2016. (ČLÁNEK)
Lapčík L., Otyepka M., Otyepková E., Lapčíková B., Gabriel R., Gavenda A., Prudilová B. Surface heterogeneity: information from inverse gas chromatography and application to model pharmaceutical substances. Current Opinion in Colloid and Interface Science. 2016. (ČLÁNEK)
Paloncýová M., Vávrová K., Sovová Ž., DeVane R., Otyepka M., Berka K. Structural Changes in Ceramide Bilayers Rationalize Increased Permeation through Stratum Corneum Models with Shorter Acyl Tails. Journal of Physical Chemistry B. 2015. (ČLÁNEK)
Lapčík L., Lapčíková B., Otyepková E., Otyepka M., Vlček J., Buňka F., Salek R. Surface energy analysis (SEA) and rheology of powder milk dairy products. Food Chemistry. 2015. (ČLÁNEK)
Paloncýová M., DeVane R., Murch B., Berka K., Otyepka M. Amphiphilic Drug-like Molecules Accumulate in A Membrane Below the Head Group Region. Journal of Physical Chemistry B. 2014. (ČLÁNEK)
Pravda L., Berka K., Svobodová Vařeková R., Sehnal D., Banáš P., Laskowski RA., Koča J., Otyepka M. Anatomy of enzyme channels. BMC Bioinformatics. 2014. (ČLÁNEK)
Paloncýová M., DeVane R., Murch B., Berka K., Otyepka M. Rationalization of Reduced Penetration of Drugs through Ceramide Gel Phase Membrane. Langmuir: the A C S journal of surfaces and colloids. 2014. (ČLÁNEK)
Berka K., Paloncýová M., Anzenbacher P., Otyepka M. Behavior of Human Cytochromes P450 on Lipid Membranes. Journal of Physical Chemistry B. 2013. (ČLÁNEK)
Sehnal D., Vařeková R., Berka K., Pravda L., Navrátilová V., Banáš P., Ionescu C., Otyepka M., Koča J. MOLE 2.0: advanced approach for analysis of biomacromolecular channels. Journal of Cheminformatics. 2013. (ČLÁNEK)
Paloncýová M., Berka K., Otyepka M. Molecular Insight into Affinities of Drugs and Their Metabolites to Lipid Bilayers. Journal of Physical Chemistry B. 2013. (ČLÁNEK)
Paloncýová M., Berka K., Otyepka M. Convergence of Free Energy Profile of Coumarin in Lipid Bilayer. Journal of Chemical Theory and Computation. 2012. (ČLÁNEK)
Berka K., Hanák O., Sehnal D., Banáš P., Navrátilová V., Jaiswal D., Ionescu C., Svobodová Vařeková R., Koča J., Otyepka M. MOLEonline 2.0: Interactive Web-based Analysis of Biomacromolecular Channels. Nucleic Acids Research. 2012. (ČLÁNEK)
Koča J., Svobodová Vařeková R., Pravda L., Berka K., Geidl S., Sehnal D., Otyepka M. Structural Bioinformatics Tools for Drug Design: Extraction of Biologically Relevant Information from Structural Databases. 2017. (KNIHA - CELEK)
Lapčík L., Lapčíková B., Zbořil R., Jurečka R., Otyepka M., Vlček J. Provozní test výroby modifikovaného papíru dle EP 3034693 A1. 2018. (POLOPROVOZ, TECHNOLOGIE)
Lapčík L., Vlček J., Lapčíková B., Otyepka M. The kinetics of jet impingement-induced HeLa cell detachment from graphene and graphene oxide. 2019. (PŘEDNÁŠKA NEBO POSTER)
ČLÁNEK
Cheruvathoor Poulose A., Medveď M., Bakuru Vasudeva R., Bares H., Otyepka M., Bakandritsos A., Zbořil R. Acidic graphene organocatalyst for the superior transformation of wastes into high-added-value chemicals. Nature Communications. 2023.
Paloncýová M., Šrejber M., Čechová P., Kührová P., Zaoral F., Otyepka M. Atomistic Insights into Organization of RNA-Loaded Lipid Nanoparticles. JOURNAL OF PHYSICAL CHEMISTRY B. 2023.
Zdražil L., Panáček D., Šedajová V., Baďura Z., Langer M., Medveď M., Paloncýová M., Scheibe MA., Kalytchuk S., Zoppellaro G., Kment Š., Bakandritsos A., Otyepka M., Zbořil R. Carbon Dots Enabling Parts-Per-Billion Sensitive and Ultraselective Photoluminescence Lifetime-Based Sensing of Inorganic Mercury. Advanced Optical Materials. 2023.
Rodrigueiro Flauzino JM., Nalepa M., Chronopoulos D., Šedajová V., Panáček D., Jakubec P., Kührová P., Pykal M., Banáš P., Panáček A., Bakandritsos A., Otyepka M. Click and Detect: Versatile Ampicillin Aptasensor Enabled by Click Chemistry on a Graphene–Alkyne Derivative. Small. 2023.
Langer M., Zdražil L., Medveď M., Otyepka M. Communication of molecular fluorophores with other photoluminescence centres in carbon dots. Nanoscale. 2023.
Padinjareveetil AKK., Perales-Rondon JV., Zaoralová D., Otyepka M., Alduhaish O., Pumera M. Fe-MOF Catalytic Nanoarchitectonic toward Electrochemical Ammonia Production. ACS Applied Materials & Interfaces. 2023.
Dzíbelová J., Hejazi S., Šedajová V., Panáček D., Jakubec P., Baďura Z., Malina O., Kašlík J., Filip J., Kment Š., Otyepka M., Zbořil R. Hematene: A sustainable 2D conductive platform for visible-light-driven photocatalytic ammonia decomposition. Applied Materials Today. 2023.
Lo R., Pykal M., Schneemann A., Zbořil R., Kolleboyina JR., Otyepka M. Lewis Acid Catalyzed Amide Bond Formation in Covalent Graphene-MOF Hybrids. Journal of Physical Chemistry C. 2023.
Kadam RG., Medveď M., Kumar S., Zaoralová D., Zoppellaro G., Baďura Z., Bakandritsos A., Tomanec O., Otyepka M., Varma RS., Gawande MB., Zbořil R. Linear-Structure Single-Atom Gold(I) Catalyst for Dehydrogenative Coupling of Organosilanes with Alcohols. ACS Catalysis. 2023.
Zdražil L., Baďura Z., Langer M., Kalytchuk S., Panáček D., Scheibe MA., Kment Š., Kmentová H., Mohammadi Sigarikar E., Medveď M., Bakandritsos A., Zoppellaro G., Zbořil R., Otyepka M. Magnetic Polaron States in Photoluminescent Carbon Dots Enable Hydrogen Peroxide Photoproduction. Small. 2023.
Dědek I., Bartusek S., Dvořáček JJ., Jakubec P., Kupka V., Otyepka M. Maximizing the electrochemical performance of supercapacitor electrodes from plastic waste. Journal of Energy Storage. 2023.
Lawson R., Čechová P., Zarrouk E., Bazgier V., Otyepka M., Trouillas P. Metabolic interactions of benzodiazepines with oxycodone ex vivo and toxicity depending on usage patterns in an animal model. BRITISH JOURNAL OF PHARMACOLOGY. 2023.
Yang Q., Nguyen EP., Panáček D., Šedajová V., Hrubý V., Bakandritsos A., Otyepka M. Metal-free cysteamine-functionalized graphene alleviates mutual interferences in heavy metal electrochemical detection. GREEN CHEMISTRY. 2023.
Coulon RJR., Papoušková B., Mohammadi Sigarikar E., Otyepka M., Wunnava S., Šponer J., Šponerová J. Prebiotic Synthesis of 3',5'-Cyclic Adenosine and Guanosine Monophosphates through Carbodiimide-Assisted Cyclization. CHEMBIOCHEM. 2023.
Kührová P., Mlýnský V., Otyepka M., Šponer J., Banáš P. Sensitivity of the RNA Structure to Ion Conditions as Probed by Molecular Dynamics Simulations of Common Canonical RNA Duplexes. Journal of Chemical Information and Modeling. 2023.
Mlýnský V., Kührová P., Stadlbauer P., Krepl M., Otyepka M., Banáš P., Šponer J. Simple Adjustment of Intranucleotide Base-Phosphate Interaction in the OL3 AMBER Force Field Improves RNA Simulations. Journal of Chemical Theory and Computation. 2023.
Anwar R., Navrátil J., Vijayaraghavan RK., Otyepka M., Blonski P. Upcycling natural Limestone waste for thermochemical energy storage by utilising tailored CaZrO3 nanoadditives. MATERIALS ADVANCES. 2023.
Pykal M., Vondrák M., Šrejber M., Tantis I., Mohammadi Sigarikar E., Bakandritsos A., Medveď M., Otyepka M. Accessibility of grafted functional groups limits reactivity of covalent graphene derivatives. APPLIED SURFACE SCIENCE. 2022.
Annadurai N., Malina L., Salmona M., Diomede L., Bastone A., Cagnotto A., Romeo M., Šrejber M., Berka K., Otyepka M., Hajdúch M., Das V. Antitumour drugs targeting tau R3 VQIVYK and Cys322 prevent seeding of endogenous tau aggregates by exogenous seeds. FEBS Journal. 2022.
Paloncýová M., Pykal M., Kührová P., Banáš P., Šponer J., Otyepka M. Computer Aided Development of Nucleic Acid Applications in Nanotechnologies. Small. 2022.
Bártová A., Gabriel R., Blahová Prudilová B., Otyepková E., Malina L., Otyepka M. Controlled nucleation of crystallization process as an efficient tool to tune the properties of corticosteroid API. POWDER TECHNOLOGY. 2022.
Prúcha R., Hrubý V., Zaoralová D., Otyepková E., Šedajová V., Kolařík J., Zbořil R., Medveď M., Otyepka M. Coordination effects on the binding of late 3d single metal species to cyanographene. Physical Chemistry Chemical Physics. 2022.
Hejazi S., Shahrezaei M., Blonski P., Baďura Z., Kalytchuk S., Mohammadi Sigarikar E., Zbořil R., Kment Š., Otyepka M., Naldoni A. Defect engineering over anisotropic brookite toward substrate-specific photo-oxidation of alcohols. 2022.
Chronopoulos D., Stangel Ch., Scheibe MA., Čépe K., Otyepka M. Electrocatalytic activity for proton reduction by a covalent non-metal graphene-fullerene hybrid. CHEMICAL COMMUNICATIONS. 2022.
Hrubý V., Medveď M., Bakandritsos A., Zbořil R., Otyepka M. Emerging graphene derivatives as active 2D coordination platforms for single-atom catalysts. Nanoscale. 2022.
Langer R., Mustonen K., Markevich A., Otyepka M., Blonski P. Graphene Lattices with Embedded Transition-Metal Atoms and Tunable Magnetic Anisotropy Energy: Implications for Spintronic Devices. ACS Applied Nano Materials. 2022.
Panáček D., Zdražil L., Langer M., Šedajová V., Baďura Z., Zoppellaro G., Hrubý V., Zbořil R., Bakandritsos A., Otyepka M. Graphene Nanobeacons with High-Affinity Pockets for Combined, Selective, and Effective Decontamination and Reagentless Detection of Heavy Metals. Small. 2022.
Saini H., Otyepková E., Schneemann A., Zbořil R., Otyepka M., Fischer RA., Jayaramulu K. Hierarchical porous metal-organic framework materials for efficient oil-water separation. Journal of Materials Chemistry A. 2022.
Kadam RG., Zaoralová D., Medveď M., Sharma P., Zoppellaro G., Tomanec O., Otyepka M., Zbořil R., Gawande MB. Intermetallic Copper-Based Electride Catalyst with High Activity for C-H Oxidation and Cycloaddition of CO2 into Epoxides. Small. 2022.
Flauzino J., Nguyen EP., Panáček D., Bakandritsos A., Otyepka M. Label-free and reagentless electrochemical genosensor based on graphene acid for meat adulteration detection. Biosensors and Bioelectronics: X. 2022.
Dědek I., Kupka V., Jakubec P., Šedajová V., Kolleboyina JR., Otyepka M. Metal-organic framework/conductive polymer hybrid materials for supercapacitors. Applied Materials Today. 2022.
Šedajová V., Bakandritsos A., Blonski P., Medveď M., Langer R., Zaoralová D., Ugolotti J., Dzíbelová J., Jakubec P., Kupka V., Otyepka M. Nitrogen doped graphene with diamond-like bonds achieves unprecedented energy density at high power in a symmetric sustainable supercapacitor. Energy & Environmental Science. 2022.
Zhou Z., Tomanec O., Otyepka M. Porphyrinic MOF derived Single-atom electrocatalyst enables methanol oxidation. CHEMICAL ENGINEERING JOURNAL. 2022.
Inman A., Šedajová V., Bakandritsos A., Otyepka M. Shear delamination of multilayer MXenes. JOURNAL OF MATERIALS RESEARCH. 2022.
Mlýnský V., Janeček M., Kührová P., Fröhlking T., Otyepka M., Bussi G., Banáš P., Šponer J. Toward Convergence in Folding Simulations of RNA Tetraloops: Comparison of Enhanced Sampling Techniques and Effects of Force Field Modifications. Journal of Chemical Theory and Computation. 2022.
Hrubý V., Zdražil L., Dzíbelová J., Šedajová V., Bakandritsos A., Lazar P., Otyepka M. Unveiling the true band gap of fluorographene and its origins by teaming theory and experiment. APPLIED SURFACE SCIENCE. 2022.
Jayaramulu K., Esclance DMello M., Otyepka M., Kment Š., Varma RS., Zbořil R. A multifunctional covalently linked graphene-MOF hybrid as an effective chemiresistive gas sensor. Journal of Materials Chemistry A. 2021.
Zaoralová D., Mach R., Lazar P., Medveď M., Otyepka M. Anchoring of Transition Metals to Graphene Derivatives as an Efficient Approach for Designing Single-Atom Catalysts. Advanced Materials Interfaces. 2021.
Kolleboyina JR., Bakandritsos A., Ranc V., Petr M., Scheibe B., Kment Š., Otyepka M., Zbořil R. Asymmetric Supercapacitors: Covalent Graphene-MOF Hybrids for High-Performance Asymmetric Supercapacitors. ADVANCED MATERIALS. 2021.
Chronopoulos D., Saini H., Tantis I., Zbořil R., Kolleboyina JR., Otyepka M. Carbon Nanotube Based Metal-Organic Framework Hybrids From Fundamentals Toward Applications. Small. 2021.
Langer M., Hrivnak T., Medveď M., Otyepka M. Contribution of the Molecular Fluorophore IPCA to Excitation-Independent Photoluminescence of Carbon Dots. Journal of Physical Chemistry C. 2021.
Tantis I., Bakandritsos A., Zaoralová D., Medveď M., Jakubec P., Havláková J., Zbořil R., Otyepka M. Covalently Interlinked Graphene Sheets with Sulfur-Chains Enable Superior Lithium-Sulfur Battery Cathodes at Full-Mass Level. ADVANCED FUNCTIONAL MATERIALS. 2021.
Saini H., Srinivasan N., Šedajová V., Otyepka M., Zbořil R. Emerging MXene@Metal-Organic Framework Hybrids: Design Strategies toward Versatile Applications. ACS Nano. 2021.
Zhang Y., Melchionna M., Medveď M., Blonski P., Steklý T., Bakandritsos A., Kment Š., Zbořil R., Otyepka M., Naldoni A. Enhanced On-Site Hydrogen Peroxide Electrosynthesis by a Selectively Carboxylated N-Doped Graphene Catalyst. ChemCatChem. 2021.
Jakubec P., Bartusek S., Dvoracek JJ., Šedajová V., Kupka V., Otyepka M. Flax-Derived Carbon: A Highly Durable Electrode Material for Electrochemical Double-Layer Supercapacitors. Nanomaterials. 2021.
Obraztsov I., Bakandritsos A., Šedajová V., Langer R., Jakubec P., Zoppellaro G., Pykal M., Presser V., Otyepka M., Zbořil R. Graphene Acid for Lithium-Ion Batteries-Carboxylation Boosts Storage Capacity in Graphene. Advanced Energy Materials. 2021.
Alzate-Carvajal N., Park J., Pykal M., Lazar P., Otyepka M. Graphene Field Effect Transistors: A Sensitive Platform for Detecting Sarin. ACS Applied Materials & Interfaces. 2021.
Vermisoglou E., Jakubec P., Bakandritsos A., Kupka V., Pykal M., Šedajová V., Vlček J., Tomanec O., Scheibe MA., Zbořil R., Otyepka M. Graphene with Covalently Grafted Amino Acid as a Route Toward Eco-Friendly and Sustainable Supercapacitors. ChemSusChem. 2021.
Stadlbauer P., Islam B., Otyepka M., Chen J., Monchaud D. Insights into G-Quadruplex-Hemin Dynamics Using Atomistic Simulations: Implications for Reactivity and Folding. Journal of Chemical Theory and Computation. 2021.
Navrátil J., Blonski P., Otyepka M. Large magnetic anisotropy in an OsIr dimer anchored in defective graphene. NANOTECHNOLOGY. 2021.
Lawson R., Čechová P., Zarrouk E., Otyepka M., Trouillas P., Bazgier V. Metabolic interactions of benzodiazepines with oxycodone ex vivo and toxicity depending on usage patterns in an animal model. BRITISH JOURNAL OF PHARMACOLOGY. 2021.
Otyepková E., Skladanová K., Pykal M., Blahová Prudilová B., Kašlík J., Čépe K., Banáš P., Lazar P., Otyepka M. Molecular insights from theoretical calculations explain the differences in affinity and diffusion of airborne contaminants on surfaces of hBN and graphene. APPLIED SURFACE SCIENCE. 2021.
Mayorga-Burrezo P., Munoz J., Zaoralová D., Otyepka M., Pumera M. Multiresponsive 2D Ti3C2Tx MXene via Implanting Molecular Properties. ACS Nano. 2021.
Mayorga-Burrezo P., Munoz J., Zaoralová D., Otyepka M., Pumera M. Multiresponsive 2D Ti3C2TxMXene via Implanting Molecular Properties. ACS Nano. 2021.
Jastrzebska A., Scheibe B., Aparicio C., Scheibe MA., Otyepka M. On the rapid in situ oxidation of two-dimensional V2CTz MXene in culture cell media and their cytotoxicity. Materials Science & Engineering C-Materials for Biological Applications. 2021.
Mallada Faes BJ., Blonski P., Langer R., Jelínek P., Otyepka M., De La Torre B. On-Surface Synthesis of One-Dimensional Coordination Polymers with Tailored Magnetic Anisotropy. ACS Applied Materials & Interfaces. 2021.
Majumder M., Saini H., Dědek I., Kment Š., Otyepka M., Zbořil R. Rational Design of Graphene Derivatives for Electrochemical Reduction of Nitrogen to Ammonia. ACS Nano. 2021.
Qin T., Wang Z., Wang Y., Besenbacher F., Otyepka M. Recent Progress in Emerging Two-Dimensional Transition Metal Carbides. Nano-Micro Letters. 2021.
Urbanova V., Antonatos N., Lazar P., Plutnar J., Otyepka M. Rhenium Doping of Layered Transition-Metal Diselenides Triggers Enhancement of Photoelectrochemical Activity. ACS Nano. 2021.
Paloncýová M., Čechová P., Šrejber M., Kührová P., Otyepka M. Role of Ionizable Lipids in SARS-CoV-2 Vaccines As Revealed by Molecular Dynamics Simulations: From Membrane Structure to Interaction with mRNA Fragments. Journal of Physical Chemistry Letters. 2021.
Panáček D., Hochvaldová L., Bakandritsos A., Malina T., Langer M., Belza J., Martincová J., Večeřová R., Lazar P., Poláková K., Kolařík J., Válková L., Kolář M., Otyepka M., Panáček A., Zbořil R. Silver Covalently Bound to Cyanographene Overcomes Bacterial Resistance to Silver Nanoparticles and Antibiotics. Advanced Science. 2021.
Pieta IS., Kadam RG., Pieta P., Bakandritsos A., Tomanec O., Petr M., Otyepka M. The Hallmarks of Copper Single Atom Catalysts in Direct Alcohol Fuel Cells and Electrochemical CO2 Fixation. Advanced Materials Interfaces. 2021.
Zdražil L., Kalytchuk S., Langer M., Ahmad R., Zbořil R., Otyepka M., Kment Š. Transparent and Low-Loss Luminescent Solar Concentrators Based on Self-Trapped Exciton Emission in Lead-Free Double Perovskite Nanocrystals. ACS Applied Energy Materials. 2021.
Saini H., Kallem P., Otyepková E., Ranc V., Zbořil R., Otyepka M. Two-dimensional MOF-based liquid marbles: surface energy calculations and efficient oil-water separation using a ZIF-9-III@PVDF membrane. Journal of Materials Chemistry A. 2021.
Janeček M., Kührová P., Mlýnský V., Otyepka M., Šponer J., Banáš P. W-RESP: Well-Restrained Electrostatic Potential-Derived Charges. Revisiting the Charge Derivation Model. Journal of Chemical Theory and Computation. 2021.
Roy A., Cheruvathoor PA., Bakandritsos A., Varma RS., Otyepka M. 2D graphene derivatives as heterogeneous catalysts to produce biofuels via esterification and trans-esterification reactions. Applied Materials Today. 2021.
Langer R., Fako E., Blonski P., Vavrečka M., Bakandritsos A., Otyepka M., López N. Anchoring of single-platinum-adatoms on cyanographene: Experiment and theory. Applied Materials Today. 2020.
Martincová J., Otyepka M., Lazar P. Atomic-Scale Edge Morphology, Stability, and Oxidation of Single-Layer 2H-TaS2. ChemPlusChem. 2020.
Siddique F., Langer M., Paloncýová M., Medveď M., Otyepka M., Nachtigallová D., Lischka H., Aquino A. Conformational Behavior and Optical Properties of a Fluorophore Dimer as a Model of Luminescent Centers in Carbon Dots. Journal of Physical Chemistry C. 2020.
Kolleboyina JR., Horn M., Schneemann A., Bakandritsos A., Ranc V., Petr M., Scheibe B., Kment Š., Otyepka M., Zbořil R. Covalent Graphene‐MOF Hybrids for High‐Performance Asymmetric Supercapacitors. ADVANCED MATERIALS. 2020.
Mlýnský V., Kührová P., Kühr T., Otyepka M., Bussi G., Banáš P., Šponer J. Fine-Tuning of the AMBER RNA Force Field with a New Term Adjusting Interactions of Terminal Nucleotides. Journal of Chemical Theory and Computation. 2020.
Mohammadi Sigarikar E., Petera L., Saeidfirozeh H., Coulon RJR., Malina O., Ugolotti J., Ranc V., Otyepka M., Šponer J., Šponerová J. Formic Acid, a Ubiquitous but Overlooked Component of the Early Earth Atmosphere. CHEMISTRY-A EUROPEAN JOURNAL. 2020.
Vermisoglou E., Jakubec P., Malina O., Kupka V., Zbořil R., Kolleboyina JR., Otyepka M. Hierarchical Porous Graphene-Iron Carbide Hybrid Derived From Functionalized Graphene-Based Metal-Organic Gel as Efficient Electrochemical Dopamine Sensor. Frontiers in Chemistry. 2020.
Vermisoglou E., Panáček D., Kolleboyina JR., Pykal M., Frébort I., Kolář M., Hajdúch M., Zbořil R., Otyepka M. Human virus detection with graphene-based materials. BIOSENSORS & BIOELECTRONICS. 2020.
Seelajaroen H., Bakandritsos A., Otyepka M., Zbořil R., Sariciftci NS. Immobilized Enzymes on Graphene as Nanobiocatalyst. ACS Applied Materials & Interfaces. 2020.
Špičáková A., Kraus P., Gucký T., Kryštof V., Strnad M., Bazgier V., Otyepka M., Kubíčková V., Poruba M., Rácová Z., Zapletalová I., Anzenbacher P. In vitro and in silico studies of interaction of synthetic 2,6,9-trisubstituted purine kinase inhibitors BPA-302, BP-21 and BP-117 with liver drug-metabolizing cytochromes P450. PHYSIOLOGICAL RESEARCH. 2020.
Rautela R., Scarfe S., Guay J., Lazar P., Pykal M., Otyepka M. Mechanistic Insight into the Limiting Factors of Graphene-Based Environmental Sensors. ACS Applied Materials & Interfaces. 2020.
Yadav SK., Grandhi GK., Dubal DP., Otyepka M., Zbořil R., Kolleboyina JR. Metal Halide Perovskite@Metal-Organic Framework Hybrids: Synthesis, Design, Properties, and Applications. Small. 2020.
Langer M., Paloncýová M., Medveď M., Otyepka M. Molecular Fluorophores Self-Organize into C-Dot Seeds and Incorporate into C-Dot Structures. Journal of Physical Chemistry Letters. 2020.
Šedajová V., Jakubec P., Bakandritsos A., Ranc V., Otyepka M. New Limits for Stability of Supercapacitor Electrode Material Based on Graphene Derivative. Nanomaterials. 2020.
Reuillard B., Blanco M., Calvillo L., Otyepka M. Noncovalent Integration of a Bioinspired Ni Catalyst to Graphene Acid for Reversible Electrocatalytic Hydrogen Oxidation. ACS Applied Materials & Interfaces. 2020.
Talande S., Bakandritsos A., Zdražil L., Jakubec P., Mohammadi Sigarikar E., Tomanec O., Otyepka M., Presser V., Zbořil R., Tuček J. Pinning ultrasmall greigite nanoparticles on graphene for effective transition-metal-sulfide supercapacitors in an ionic liquid electrolyte. Journal of Materials Chemistry A. 2020.
Urbanová V., Lazar P., Antonatos N., Sofer Z., Otyepka M., Pumera M. Positive and Negative Effects of Dopants toward Electrocatalytic Activity of MoS2 and WS2: Experiments and Theory. ACS Applied Materials & Interfaces. 2020.
Islam B., Stadlbauer P., Vorlíčková M., Mergny J., Otyepka M., Šponer J. Stability of Two-Quartet G-Quadruplexes and Their Dimers in Atomistic Simulations. Journal of Chemical Theory and Computation. 2020.
Han Y., Langer M., Medveď M., Otyepka M., Král P. Stretch-Healable Molecular Nanofibers. Advanced Theory and Simulations. 2020.
Bouša D., Otyepková E., Lazar P., Otyepka M., Sofer Z. Surface Energy of Black Phosphorus Alloys with Arsenic. ChemNanoMat. 2020.
De La Torre B., Matěj A., Sanchez-Grande A., Mallada Faes BJ., Edalatmanesh S., Otyepka M., Medveď M., Jelínek P. Tailoring π-conjugation and vibrational modes to steer on-surface synthesis of pentalene-bridged ladder polymers. Nature Communications. 2020.
Langer R., Blonski P., Hofer Ch., Lazar P., Otyepka M. Tailoring Electronic and Magnetic Properties of Graphene by Phosphorus Doping. ACS Applied Materials & Interfaces. 2020.
Chronopoulos D., Medveď M., Potsi G., Tomanec O., Scheibe MA., Otyepka M. Tunable one-step double functionalization of graphene based on fluorographene chemistry. CHEMICAL COMMUNICATIONS. 2020.
Zaoralová D., Hrubý V., Šedajová V., Mach R., Kupka V., Ugolotti J., Bakandritsos A., Medveď M., Otyepka M. Tunable Synthesis of Nitrogen Doped Graphene from Fluorographene under Mild Conditions. ACS Sustainable Chemistry & Engineering. 2020.
Wychowaniec JK., Litowczenko J., Tadyszak K., Aparicio C., Otyepka M., Scheibe B. Unique cellular network formation guided by heterostructures based on reduced graphene oxide - Ti3C2Tx MXene hydrogels. Acta Biomaterialia. 2020.
Mráziková K., Mlýnský V., Kührová P., Krepl M., Otyepka M., Banáš P. UUCG RNA Tetraloop as a Formidable Force-Field Challenge for MD Simulations. Journal of Chemical Theory and Computation. 2020.
Chronopoulos D., Medveď M., Blonski P., Nováček Z., Jakubec P., Tomanec O., Bakandritsos A., Novotná V., Zbořil R., Otyepka M. Alkynylation of graphene via the Sonogashira C-C cross-coupling reaction on fluorographene. CHEMICAL COMMUNICATIONS. 2019.
Mosconi D., Blanco M., Gatti T., Otyepka M., Bakandritsos A. Arene C-H insertion catalyzed by ferrocene covalently heterogenized on graphene acid. CARBON. 2019.
Sen D., Blonski P., Otyepka M. Band-Edge Engineering at the Carbon Dot-TiO2 Interface by Substitutional Boron Doping. Journal of Physical Chemistry C. 2019.
Bares H., Bakandritsos A., Medveď M., Ugolotti J., Jakubec P., Tomanec O., Kalytchuk S., Zbořil R., Otyepka M. Bimodal role of fluorine atoms in fluorographene chemistry opens a simple way toward double functionalization of graphene. CARBON. 2019.
Špičáková A., Bazgier V., Skálová L., Otyepka M., Anzenbacher P. β‐caryophyllene Oxide and Trans-nerolidol Affect Enzyme Activity of CYP3A4 – In Vitro and In Silico Studies. PHYSIOLOGICAL RESEARCH. 2019.
Blanco M., Mosconi D., Otyepka M., Medveď M., Bakandritsos A., Agnoli S., Granozzi G. Combined high degree of carboxylation and electronic conduction in graphene acid sets new limits for metal free catalysis in alcohol oxidation. Chemical Science. 2019.
Bakandritsos A., Jakubec P., Pykal M., Otyepka M. Covalently functionalized graphene as a supercapacitor electrode material. FlatChem. 2019.
Cheong YH., Nasir MZM., Bakandritsos A., Pykal M., Jakubec P., Zbořil R., Otyepka M., Pumera M. Cyanographene and Graphene Acid: The Functional Group of Graphene Derivative Determines the Application in Electrochemical Sensing and Capacitors. ChemElectroChem. 2019.
Kolleboyina JR., Geyer F., Schneemann A., Kment Š., Otyepka M., Zbořil R., Vollmer D., Fischer RA. Hydrophobic Metal-Organic Frameworks. Advanced Materials. 2019.
Vermisoglou E., Jakubec P., Bakandritsos A., Pykal M., Talande S., Kupka V., Zbořil R., Otyepka M. Chemical Tuning of Specific Capacitance in Functionalized Fluorographene. CHEMISTRY OF MATERIALS. 2019.
Kührová P., Mlýnský V., Zgarbová M., Krepl M., Bussi G., Best RB., Otyepka M., Šponer J., Banáš P. Improving the Performance of the Amber RNA Force Field by Tuning the Hydrogen-Bonding Interactions. Journal of Chemical Theory and Computation. 2019.
Manzanares-Palenzuela CL., Pourrahimi AM., Gonzalez-Julian J., Pykal M., Otyepka M. Interaction of single- and double-stranded DNA with multilayer MXene by fluorescence spectroscopy and molecular dynamics simulations. Chemical Science. 2019.
Potsi G., Bourlinos AB., Mouselimis V., Poláková K., Kalytchuk S., Tomanec O., Blonski P., Medveď M., Lazar P., Otyepka M., Zbořil R. Intrinsic photoluminescence of amine-functionalized graphene derivatives for bioimaging applications. Applied Materials Today. 2019.
Pykal M., Langer M., Blahová Prudilová B., Banáš P., Otyepka M. Ion Interactions across Graphene in Electrolyte Aqueous Solution. Journal of Physical Chemistry C. 2019.
Papadakis I., Kyrginas D., Stathis A., Potsi G., Tomanec O., Otyepka M., Zbořil R. Large Enhancement of the Nonlinear Optical Response of Fluorographene by Chemical Functionalization: The Case of Diethyl-amino-fluorographene. Journal of Physical Chemistry C. 2019.
Zoppellaro G., Bakandritsos A., Tuček J., Blonski P., Susi T., Lazar P., Baďura Z., Steklý T., Opletalová A., Otyepka M., Zbořil R. Microwave Energy Drives "On-Off-On" Spin-Switch Behavior in Nitrogen-Doped Graphene. Advanced Materials. 2019.
Bakandritsos A., Kadam RG., Kumar P., Zoppellaro G., Medveď M., Tuček J., Montini T., Tomanec O., Andrýsková P., Drahoš B., Varma RS., Otyepka M., Gawande MB., Fornasiero P., Zbořil R. Mixed-Valence Single-Atom Catalyst Derived from Functionalized Graphene. Advanced Materials. 2019.
Stadlbauer P., Kührová P., Vicherek L., Banáš P., Otyepka M., Trantírek L., Šponer J. Parallel G-triplexes and G-hairpins as potential transitory ensembles in the folding of parallel-stranded DNA G-Quadruplexes. NUCLEIC ACIDS RESEARCH. 2019.
Lenarda A., Bakandritsos A., Bevilacqua M., Naldoni A., Steklý T., Otyepka M., Zbořil R. Selective Functionalization Blended with Scaffold Conductivity in Graphene Acid Promotes H2O2 Electrochemical Sensing. ACS Omega. 2019.
Kolleboyina JR., Dubal DP., Schneemann A., Ranc V., Pérez Reyes MC., Stráská J., Kment Š., Otyepka M., Fischer RA., Zbořil R. Shape-Assisted 2D MOF/Graphene Derived Hybrids as Exceptional Lithium-Ion Battery Electrodes. Advanced Functional Materials. 2019.
Petr M., Jakubec P., Ranc V., Šedajová V., Langer R., Medveď M., Blonski P., Kašlík J., Kupka V., Otyepka M., Zbořil R. Thermally reduced fluorographenes as efficient electrode materials for supercapacitors. Nanoscale. 2019.
Stathis A., Papadakis I., Karampitsos N., Couris S., Potsi G., Bourlinos A., Otyepka M., Zbořil R. Thiophenol-Modified Fluorographene Derivatives for Nonlinear Optical Applications. ChemPlusChem. 2019.
Langer R., Blonski P., Otyepka M. Tuning the magnetic properties of graphene derivatives by functional group selection. PHYSICAL CHEMISTRY CHEMICAL PHYSICS. 2019.
Langer R., Zaoralová D., Medveď M., Banáš P., Blonski P., Otyepka M. Variability of C-F Bonds Governs the Formation of Specific Structural Motifs in Fluorinated Graphenes. Journal of Physical Chemistry C. 2019.
Zgarbová M., Jurečka P., Šponer J., Otyepka M. A- to B-DNA Transition in AMBER Force Fields and Its Coupling to Sugar Pucker. Journal of Chemical Theory and Computation. 2018.
Queck F., Krejčí O., Scheuerer P., Bolland F., Otyepka M., Jelínek P., Repp J. Bonding Motifs in Metal-Organic Compounds on Surfaces. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 2018.
Bakandritsos A., Chronopoulos D., Jakubec P., Pykal M., Čépe K., Steriotis T., Kalytchuk S., Petr M., Zbořil R., Otyepka M. High-Performance Supercapacitors Based on a Zwitterionic Network of Covalently Functionalized Graphene with Iron Tetraaminophthalocyanine. ADVANCED FUNCTIONAL MATERIALS. 2018.
Salnikov E., Drung B., Fabre G., Itkin A., Otyepka M., Dencher NA., Schmidt B., Hauss T., Trouillas P., Bechinger B. Lipid bilayer position and orientation of novel carprofens, modulators of gamma-secretase in Alzheimer's disease. BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES. 2018.
Šrejber M., Navrátilová V., Paloncýová M., Bazgier V., Berka K., Anzenbacher P., Otyepka M. Membrane-attached mammalian cytochromes P450: An overview of the membrane's effects on structure, drug binding, and interactions with redox partners. JOURNAL OF INORGANIC BIOCHEMISTRY. 2018.
Tuček J., Blonski P., Malina O., Pumera M., Chua CK., Otyepka M., Zbořil R. Morphology‐Dependent Magnetism in Nanographene: Beyond Nanoribbons. ADVANCED FUNCTIONAL MATERIALS. 2018.
De La Torre B., Švec M., Hapala P., Redondo J., Krejčí O., Lo R., Manna D., Sarmah A., Nachtigallová D., Tuček J., Blonski P., Otyepka M., Zbořil R., Hobza P., Jelínek P. Non-covalent control of spin-state in metal-organic complex by positioning on N-doped graphene. Nature Communications. 2018.
Medveď M., Zoppellaro G., Ugolotti J., Zaoralová D., Lazar P., Pospíšil T., Bakandritsos A., Tuček J., Zbořil R., Otyepka M. Reactivity of fluorographene is triggered by point defects: beyond the perfect 2D world. Nanoscale. 2018.
LI Q., Froning JP., Pykal M., Zhang S., Wang Z., Vondrák M., Banáš P., Čépe K., Jurečka P., Šponer J., Zbořil R., Dong M., Otyepka M. RNA nanopatterning on graphene. 2D Materials. 2018.
Šponer J., Bussi G., Krepl M., Banáš P., Bottaro S., Cunha RA., Gil-Ley A., Pinamonti G., Poblete S., Jurečka P., Walter NG., Otyepka M. RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview. CHEMICAL REVIEWS. 2018.
Lazar P., Otyepková E., Pykal M., Čépe K., Otyepka M. Role of the puckered anisotropic surface in the surface and adsorption properties of black phosphorus. Nanoscale. 2018.
Paloncýová M., Langer M., Otyepka M. Structural Dynamics of Carbon Dots in Water and N,N-Dimethylformamide Probed by All-Atom Molecular Dynamics Simulations. Journal of Chemical Theory and Computation. 2018.
Havrila M., Stadlbauer P., Kührová P., Banáš P., Mergny J., Otyepka M., Šponer J. Structural dynamics of propeller loop: towards folding of RNA G-quadruplex. NUCLEIC ACIDS RESEARCH. 2018.
Chantemargue B., Di Meo F., Berka K., Picard N., Arnion H., Essig M., Marquet P., Otyepka M., Trouillas P. Structural patterns of the human ABCC4/MRP4 exporter in lipid bilayers rationalize clinically observed polymorphisms. PHARMACOLOGICAL RESEARCH. 2018.
Tuček J., Holá K., Zoppellaro G., Blonski P., Langer R., Medveď M., Susi T., Otyepka M., Zbořil R. Zigzag sp(2) Carbon Chains Passing through an sp(3) Framework: A Driving Force toward Room-Temperature Ferromagnetic Graphene. ACS Nano. 2018.
Zaoralová D., Medveď M., Bakandritsos A., Steklý T., Zbořil R., Otyepka M. 2D Chemistry: Chemical Control of Graphene Derivatization. Journal of Physical Chemistry Letters. 2018.
Karlický F., Otyepková E., Lo R., Pitoňák M., Jurečka P., Pykal M., Hobza P., Otyepka M. Adsorption of Organic Molecules to van der Waals Materials: Comparison of Fluorographene and Fluorographite with Graphene and Graphite. Journal of Chemical Theory and Computation. 2017.
Bakandritsos A., Pykal M., Blonski P., Jakubec P., Chronopoulos D., Poláková K., Georgakilas V., Čépe K., Tomanec O., Ranc V., Bourlinos A., Zbořil R., Otyepka M. Cyanographene and Graphene Acid: Emerging Derivatives Enabling High-Yield and Selective Functionalization of Graphene. ACS Nano. 2017.
Fröning JP., Lazar P., Pykal M., Li Q., Dong M., Zbořil R., Otyepka M. Direct mapping of chemical oxidation of individual graphene sheets through dynamic force measurements at the nanoscale. Nanoscale. 2017.
Blonski P., Tuček J., Sofer Z., Mazánek V., Petr M., Pumera M., Otyepka M., Zbořil R. Doping with Graphitic Nitrogen Triggers Ferromagnetism in Graphene. Journal of the American Chemical Society. 2017.
Havrila M., Stadlbauer P., Islam B., Otyepka M., Šponer J. Effect of Monovalent Ion Parameters on Molecular Dynamics Simulations of G-Quadruplexes. Journal of Chemical Theory and Computation. 2017.
Islam B., Stadlbauer P., Gil-Ley A., Perez-Hernandez G., Haider S., Neidle S., Bussi G., Banáš P., Otyepka M., Šponer J. Exploring the Dynamics of Propeller Loops in Human Telomeric DNA Quadruplexes Using Atomistic Simulations. Journal of Chemical Theory and Computation. 2017.
Šponer J., Bussi G., Stadlbauer P., Kührová P., Banáš P., Islam B., Haider S., Neidle S., Otyepka M. Folding of guanine quadruplex molecules-funnel-like mechanism or kinetic partitioning? An overview from MD simulation studies. Biochimica et Biophysica Acta - General Subjects. 2017.
Presolski S., Wang L., Loo AH., Ambrosi A., Lazar P., Ranc V., Otyepka M., Zbořil R., Tomanec O., Ugolotti J., Sofer Z., Pumera M. Functional Nanosheet Synthons by Covalent Modification of Transition-Metal Dichalcogenides. Chemistry of Materials. 2017.
Holá K., Sudolská M., Kalytchuk S., Nachtigallová D., Rogach AL., Otyepka M., Zbořil R. Graphitic Nitrogen Triggers Red Fluorescence in Carbon Dots. ACS Nano. 2017.
Chronopoulos D., Bakandritsos A., Lazar P., Pykal M., Čépe K., Zbořil R., Otyepka M. High-Yield Alkylation and Arylation of Graphene via Grignard Reaction with Fluorographene. Chemistry of Materials. 2017.
Šponer J., Krepl M., Banáš P., Kührová P., Zgarbová M., Jurečka P., Havrila M., Otyepka M. How to understand atomistic molecular dynamics simulations of RNA and protein-RNA complexes? Wiley interdisciplinary reviews. RNA. 2017.
Chronopoulos D., Bakandritsos A., Pykal M., Zbořil R., Otyepka M. Chemistry, properties, and applications of fluorographene. Applied Materials Today. 2017.
Zgarbová M., Jurečka P., Lankaš F., Cheatham TEI., Šponer J., Otyepka M. Influence of BII Backbone Substates on DNA Twist: A Unified View and Comparison of Simulation and Experiment for All 136 Distinct Tetranucleotide Sequences. Journal of Chemical Information and Modeling. 2017.
Bartali R., Otyepka M., Pykal M., Lazar P., Micheli V., Gottardi G., Laidani N. Interaction of the Helium, Hydrogen, Air, Argon, and Nitrogen Bubbles with Graphite Surface in Water. ACS Applied Materials & Interfaces. 2017.
Martincová J., Otyepka M., Lazar P. Is Single Layer MoS2 Stable in the Air? Chemistry: A European Journal. 2017.
Mlýnský V., Kührová P., Jurečka P., Šponer J., Otyepka M., Banáš P. Mapping the Chemical Space of the RNA Cleavage and Its Implications for Ribozyme Catalysis. Journal of Physical Chemistry B. 2017.
Navrátilová V., Paloncýová M., Berka K., Mise S., Haga Y., Matsumura C., Sakaki T., Inui H., Otyepka M. Molecular insights into the role of a distal F240A mutation that alters CYP1A1 activity towards persistent organic pollutants. Biochimica et Biophysica Acta - General Subjects. 2017.
Zgarbová M., Jurečka P., Banáš P., Havrila M., Šponer J., Otyepka M. Noncanonical alpha/gamma Backbone Conformations in RNA and the Accuracy of Their Description by the AMBER Force Field. Journal of Physical Chemistry B. 2017.
Costanzo G., Giorgi A., Scipioni A., Timperio AM., Mancone C., Tripodi M., Kapralov M., Krasavin E., Kruse H., Šponer J., Šponer JE., Ranc V., Otyepka M., Pino S., Di Mauro E. Nonenzymatic Oligomerization of 3 ',5 '-Cyclic CMP Induced by Proton and UV Irradiation Hints at a Nonfastidious Origin of RNA. ChemBioChem. 2017.
Lazar P., Otyepka M. Role of the Edge Properties in the Hydrogen Evolution Reaction on MoS2. Chemistry: A European Journal. 2017.
Tuček J., Holá K., Bourlinos A., Blonski P., Bakandritsos A., Ugolotti J., Dubecký M., Karlický F., Ranc V., Čépe K., Otyepka M., Zbořil R. Room temperature organic magnets derived from sp(3) functionalized graphene. Nature Communications. 2017.
Otyepková E., Lazar P., Luxa J., Berka K., Čépe K., Sofer Z., Pumera M., Otyepka M. Surface properties of MoS2 probed by inverse gas chromatography and their impact on electrocatalytic properties. Nanoscale. 2017.
Galindo-Murillo R., Robertson JC., Zgarbová M., Šponer J., Otyepka M., Jurečka P., Cheatham TEI. Assessing the Current State of Amber Force Field Modifications for DNA. Journal of Chemical Theory and Computation. 2016.
Jayaramulu K., Kasibhatta KRD., Roesler C., Petr M., Otyepka M., Zbořil R., Fischer RA. Biomimetic Superhydrophobic/Superoleophilic Highly Fluorinated Graphene Oxide and ZIF-8 Composites for Oil–Water Separation. Angewandte Chemie - International Edition. 2016.
Kührová P., Best RB., Bottaro S., Bussi G., Šponer J., Otyepka M., Banáš P. Computer Folding of RNA Tetraloops: Identification of Key Force Field Deficiencies. Journal of Chemical Theory and Computation. 2016.
Fourre I., Di Meo F., Podloucká P., Otyepka M., Trouillas P. Dimerization of quercetin, Diels-Alder vs. radical-coupling approach: a joint thermodynamics, kinetics, and topological study. Journal of Molecular Modeling. 2016.
Navrátilová V., Paloncýová M., Berka K., Otyepka M. Effect of Lipid Charge on Membrane Immersion of Cytochrome P450 3A4. Journal of Physical Chemistry B. 2016.
Bazgier V., Berka K., Otyepka M., Banáš P. Exponential Repulsion Improves Structural Predictability of Molecular Docking. Journal of Computational Chemistry. 2016.
Urbanová V., Karlický F., Matěj A., Šembera F., Janoušek Z., Perman JA., Ranc V., Čépe K., Michl J., Otyepka M., Zbořil R. Fluorinated graphenes as advanced biosensors – effect of fluorine coverage on electron transfer properties and adsorption of biomolecules. Nanoscale. 2016.
Pykal M., Zbořil R., Otyepka M. Fluorografen- benjamínek v rodině grafenových derivátů. Chemické listy. 2016.
Sarkar S., Sudolská M., Dubecký M., Reckmeier CJ., Rogach AL., Zbořil R., Otyepka M. Graphitic Nitrogen Doping in Carbon Dots Causes Red-Shifted Absorption. Journal of Physical Chemistry Part C: Nanomaterials and Interfaces. 2016.
Pykal M., Jurečka P., Karlický F., Otyepka M. Modelling of graphene functionalization. Physical Chemistry Chemical Physics. 2016.
Billat P., Ossman T., Saint-Marcoux F., Essig M., Rerolle J., Kamar N., Rostaing L., Kaminski H., Fabre G., Otyepka M., Woillard J., Marquet P., Trouillas P., Picard N. Multidrug resistance-associated protein 4 (MRP4) controls ganciclovir intracellular accumulation and contributes to ganciclovir-induced neutropenia in renal transplant patients. Pharmacological Research. 2016.
Otyepková E., Lazar P., Čépe K., Tomanec O., Otyepka M. Organic adsorbates have higher affinities to fluorographene than to graphene. Applied Materials Today. 2016.
Kozák O., Sudolská M., Pramanik G., Cigler P., Otyepka M., Zbořil R. Photoluminescent Carbon Nanostructures. Chemistry of Materials. 2016.
Trouillas P., Sancho-Garcia JC., De Freitas V., Gierschner J., Otyepka M., Dangles O. Stabilizing and Modulating Color by Copigmentation: Insights from Review Theory and Experiment. Chemical Reviews. 2016.
Tuček J., Błoński P., Sofer Z., Šimek P., Petr M., Pumera M., Otyepka M., Zbořil R. Sulfur Doping Induces Strong Ferromagnetic Ordering in Graphene: Effect of Concentration and Substitution Mechanism. Advanced Materials. 2016.
Scott EE., Wolf CR., Otyepka M., Humphreys SC., Reed JR., Henderson CJ., McLaughlin LA., Paloncýová M., Navrátilová V., Berka K., Anzenbacher P., Dahal UP., Barnaba C., Brozik JA., Jones JP., Estrada DF., Laurence JS., Park JW., Backes WL. The Role of Protein-Protein and Protein-Membrane Interactions on P450 Function. Drug Metabolism and Disposition. 2016.
Lazar P., Otyepka M. Accurate surface energies from first principles. Physical Review B. 2015.
Krepl M., Havrila M., Stadlbauer P., Banáš P., Otyepka M., Pasulka J., Štefl R., Šponer J. Can We Execute Stable Microsecond-Scale Atomistic Simulations of Protein-RNA Complexes? Journal of Chemical Theory and Computation. 2015.
Sovová Ž., Berka K., Otyepka M., Jurečka P. Coarse-Grain Simulations of Skin Ceramide NS with Newly Derived Parameters Clarify Structure of Melted Phase. Journal of Physical Chemistry B. 2015.
Lazar P., Chua CK., Holá K., Zbořil R., Otyepka M., Pumera M. Dichlorocarbene-Functionalized Fluorographene: Synthesis and Reaction Mechanism. Small. 2015.
Navrátilová V., Paloncýová M., Kajšová M., Berka K., Otyepka M. Effect of Cholesterol on the Structure of Membrane-Attached Cytochrome P450 3A4. Journal of Chemical Information and Modeling. 2015.
Stadlbauer P., Kührová P., Banáš P., Koča J., Bussi G., Trantírek L., Otyepka M., Šponer J. Hairpins participating in folding of human telomeric sequence quadruplexes studied by standard and T-REMD simulations. Nucleic Acids Research. 2015.
Georgakilas V., Demeslis A., Ntararas E., Kouloumpis A., Dimos K., Gournis D., Kocman M., Otyepka M., Zbořil R. Hydrophilic Nanotube Supported Graphene–Water Dispersible Carbon Superstructure with Excellent Conductivity. Advanced Functional Materials. 2015.
Dubecký M., Walter NG., Šponer J., Otyepka M., Banáš P. Chemical Feasibility of the General Acid/Base Mechanism of glmS Ribozyme Self-Cleavage. Biopolymers. 2015.
Haldar S., Kührová P., Banáš P., Spiwok V., Šponer J., Hobza P., Otyepka M. Insights into Stability and Folding of GNRA and UNCG Tetra loops Revealed by Microsecond Molecular Dynamics and Well-Tempered Metadynamics. Journal of Chemical Theory and Computation. 2015.
Haldar S., Kührová P., Banáš P., Spiwok V., Šponer J., Hobza P., Otyepka M. Insights into Stability and Folding of GNRA and UNCG Tetraloops Revealed by Microsecond Molecular Dynamics and Well-Tempered Metadynamics. Journal of Chemical Theory and Computation. 2015.
Karlický F., Otyepková E., Banáš P., Lazar P., Kocman M., Otyepka M. Interplay between Ethanol Adsorption to High-Energy Sites and Clustering on Graphene and Graphite Alters the Measured Isosteric Adsorption Enthalpies. Journal of Physical Chemistry Part C: Nanomaterials and Interfaces. 2015.
Fabre G., Hänchen A., Calliste C., Berka K., Banala S., Otyepka M., Süssmuth RD., Trouillas P. Lipocarbazole, an efficient lipid peroxidation inhibitor anchored in the membrane. Bioorganic & Medicinal Chemistry. 2015.
Vorlová B., Nachtigallová D., Jirásková-Vaníčková J., Ajani H., Jansa P., Řezáč J., Fanfrlík J., Otyepka M., Hobza P., Konvalinka J., Lepšík M. Malonate-based inhibitors of mammalian serine racemase: Kinetic characterization and structure-based computational study. European Journal of Medicinal Chemistry. 2015.
Estarellas C., Otyepka M., Koča J., Banáš P., Krepl M., Šponer J. Molecular dynamic simulations of protein/RNA complexes: CRISPR/Csy4 endoribonuclease. Biochimica et Biophysica Acta - General Subjects. 2015.
Sudolská M., Dubecký M., Sarkar S., Reckmeier CJ., Zbořil R., Rogach AL., Otyepka M. Nature of Absorption Bands in Oxygen-Functionalized Graphitic Carbon Dots. Journal of Physical Chemistry Part C: Nanomaterials and Interfaces. 2015.
Trouillas P., Di Meo F., Gierschner J., Linares M., Sancho-Garcia J., Otyepka M. Optical properties of wine pigments: theoretical guidelines with new methodological perspectives. Tetrahedron. 2015.
Mlýnský V., Kührová P., Zgarbová M., Jurečka P., Walter NG., Otyepka M., Šponer J., Banáš P. Reactive Conformation of the Active Site in the Hairpin Ribozyme Achieved by Molecular Dynamics Simulations with epsilon/zeta Force Field Reparametrizations. Journal of Physical Chemistry B. 2015.
Dubecký M., Otyepková E., Lazar P., Karlický F., Petr M., Čépe K., Banáš P., Zbořil R., Otyepka M. Reactivity of Fluorographene: A Facile Way toward Graphene Derivatives. Journal of Physical Chemistry Letters. 2015.
Zgarbová M., Šponer J., Otyepka M., Cheatham TEI., Galindo-Murillo R., Jurečka P. Refinement of the Sugar-Phosphate Backbone Torsion Beta for AMBER Force Fields Improves the Description of Z- and B-DNA. Journal of Chemical Theory and Computation. 2015.
Fabre G., Bayach I., Berka K., Paloncýová M., Starok M., Rossi C., Duroux J., Otyepka M., Trouillas P. Synergism of antioxidant action of vitamins E, C and quercetin is related to formation of molecular associations in biomembranes. Chemical Communications. 2015.
Mlýnský V., Walter NG., Šponer J., Otyepka M., Banáš P. The role of an active site Mg2 in HDV ribozyme self-cleavage: insights from QM/MM calculations. Physical Chemistry Chemical Physics. 2015.
Lazar P., Otyepková E., Karlický F., Čépe K., Otyepka M. The surface and structural properties of graphite fluoride. Carbon. 2015.
Urbanová V., Holá K., Bourlinos A., Čépe K., Ambrosi A., Loo AH., Pumera M., Karlický F., Otyepka M., Zbořil R. Thiofluorographene-Hydrophilic Graphene Derivative with Semiconducting and Genosensing Properties. Advanced Materials. 2015.
Sripathi KN., Banáš P., Reblova K., Šponer J., Otyepka M., Walter NG. Wobble pairs of the HDV ribozyme play specific roles in stabilization of active site dynamics. Physical Chemistry Chemical Physics. 2015.
Jiang Z., Li J., Aslan H., Li Q., Li Y., Chen M., Huang Y., Froning J., Otyepka M., Zbořil R., Besenbacher F., Dong M. A high efficiency H2S gas sensor material: paper like Fe2O3/graphene nanosheets and structural alignment dependency of device efficiency. Journal of Materials Chemistry A. 2014.
Filip J., Karlický F., Marušák Z., Lazar P., Černík M., Otyepka M., Zbořil R. Anaerobic Reaction of Nanoscale Zerovalent Iron with Water: Mechanism and Kinetics. Journal of Physical Chemistry Part C: Nanomaterials and Interfaces. 2014.
Kührová P., Otyepka M., Šponer J., Banáš P. Are waters around RNA more than just a solvent? An insight from molecular dynamics simulations. Journal of Chemical Theory and Computation. 2014.
Zgarbová M., Otyepka M., Šponer J., Lankaš F., Jurečka P. Base Pair Fraying in Molecular Dynamics Simulations of DNA and RNA. Journal of Chemical Theory and Computation. 2014.
Paloncýová M., Fabre G., DeVane R., Trouillas P., Berka K., Otyepka M. Benchmarking of Force Fields for MoleculeMembrane Interactions. Journal of Chemical Theory and Computation. 2014.
Mlýnský V., Banáš P., Šponer J., van der Kamp M., Mulholland A., Otyepka M. Comparison of ab Initio, DFT, and Semiempirical QM/MM Approaches for Description of Catalytic Mechanism of Hairpin Ribozyme. Journal of Chemical Theory and Computation. 2014.
Sripathi K., Tay W., Banáš P., Otyepka M., Šponer J., Walter N. Disparate HDV ribozyme crystal structures represent intermediates on a rugged free-energy landscape. RNA-A Publication of the RNA Society. 2014.
Mládek A., Banáš P., Jurečka P., Otyepka M., Zgarbová M., Šponer J. Energies and 2 '-Hydroxyl Group Orientations of RNA Backbone Conformations. Benchmark CCSD(T)/CBS Database, Electronic Analysis, and Assessment of DFT Methods and MD Simulations. Journal of Chemical Theory and Computation. 2014.
Karlický F., Otyepka M. Challenges in the Theoretical Description of Nanoparticle Reactivity: Nano Zero-Valent Iron. International Journal of Quantum Chemistry. 2014.
Lazar P., Zbořil R., Pumera M., Otyepka M. Chemical nature of boron and nitrogen dopant atoms in graphene strongly influences its electronic properties. Physical Chemistry Chemical Physics. 2014.
Šponer J., Banáš P., Jurečka P., Zgarbová M., Kührová P., Havrila M., Krepl M., Stadlbauer P., Otyepka M. Molecular Dynamics Simulations of Nucleic Acids. From Tetranucleotides to the Ribosome. Journal of Physical Chemistry Letters. 2014.
Kasibhatta K., Petala E., Kasibhatta J., Perman J., Tuček J., Barták P., Otyepka M., Zoppellaro G., Zbořil R. NZVI modified magnetic filter paper with high redox and catalytic activities for advanced water treatment technologies. Chemical Communications. 2014.
Holá K., Bourlinos A., Kozák O., Berka K., Machalová Šišková K., Havrdová M., Tuček J., Čépe K., Otyepka M., Giannelis EP., Zbořil R. Photoluminescence effects of graphitic core size and surface functional groups in carbon dots: COO- induced red-shift emission. Carbon. 2014.
Dubecký M., Derian R., Jurečka P., Mitas L., Hobza P., Otyepka M. Quantum Monte Carlo for noncovalent interactions: an efficient protocol attaining benchmark accuracy. Physical Chemistry Chemical Physics. 2014.
Kasibhatta K., Kozák O., Ranc V., Havrdová M., Bourlinos A., Čépe K., Holá K., Tománková K., Zoppellaro G., Otyepka M., Zbořil R. Quaternized carbon dot-modified graphene oxide for selective cell labelling - controlled nucleus and cytoplasm imaging. Chemical Communications. 2014.
Lazar P., Granatier J., Klimeš J., Hobza P., Otyepka M. The nature of bonding and electronic properties of graphene and benzene with iridium adatoms. Physical Chemistry Chemical Physics. 2014.
Lazar P., Otyepková E., Banáš P., Fargašová A., Čépe K., Lapčík L., Pechoušek J., Zbořil R., Otyepka M. The nature of high surface energy sites in graphene and graphite. Carbon. 2014.
Kučera T., Otyepka M., Matušková A., Samad A., Kutejová E., Janata J. A Computational Study of the Glycine-Rich Loop of Mitochondrial Processing Peptidase. PLoS One. 2013.
Lazar P., Karlický F., Jurečka P., Kocman M., Otyepková E., Šafářová K., Otyepka M. Adsorption of Small Organic Molecules on Graphene. Journal of the American Chemical Society. 2013.
Pozharitskaya ON., Shikov AN., Makarova MN., Ivanova SA., Kosman VM., Makarov VG., Bazgier V., Berka K., Otyepka M., Ulrichová J. Antiallergic Effects of Pigments Isolated from Green Sea Urchin (Strongylocentrotus droebachiensis) Shells. Planta Medica. 2013.
Mládek A., Krepl M., Svozil D., Cech P., Otyepka M., Banáš P., Zgarbová M., Jurečka P., Šponer J. Benchmark quantum-chemical calculations on a complete set of rotameric families of the DNA sugar-phosphate backbone and their comparison with modern density functional theory. Physical Chemistry Chemical Physics. 2013.
Kührová P., Banáš P., Best RB., Šponer J., Otyepka M. Computer Folding of RNA Tetraloops? Are We There Yet? Journal of Chemical Theory and Computation. 2013.
KARLICKÝ F., Kasibhatta K., OTYEPKA M., Zbořil R. Halogenated Graphenes: Rapidly Growing Family of Graphene Derivatives. ACS Nano. 2013.
Šponer J., Šponer JE., Mládek A., Banáš P., Jurečka P., Otyepka M. How to understand quantum chemical computations on DNA and RNA systems? A practical guide for non-specialists. Methods. 2013.
Podloucká P., Berka K., Fabre G., Paloncýová M., Duroux J., Otyepka M., Trouillas P. Lipid Bilayer Membrane Affinity Rationalizes Inhibition of Lipid Peroxidation by a Natural Lignan Antioxidant. Journal of Physical Chemistry B. 2013.
Pykal M., Šafářová K., Machalová Šišková K., Jurečka P., Bourlinos AB., Zbořil R., Otyepka M. Lipid Enhanced Exfoliation for Production of Graphene Nanosheets. Journal of Physical Chemistry Part C: Nanomaterials and Interfaces. 2013.
Šponer J., Šponer JE., Mládek A., Jurečka P., Banáš P., Otyepka M. Nature and Magnitude of Aromatic Base Stacking in DNA and RNA: Quantum Chemistry, Molecular Mechanics, and Experiment. Biopolymers. 2013.
Lazar P., Zhang S., Šafářová K., Li Q., Froning J., Granatier J., Hobza P., Zbořil R., Besenbacher F., Dong M., Otyepka M. Quantification of the Interaction Forces between Metals and Graphene by Quantum Chemical Calculations and Dynamic Force Measurements under Ambient Conditions. ACS Nano. 2013.
Dubecký M., Jurečka P., Derian R., Hobza P., Otyepka M., Mitáš L. Quantum Monte Carlo Methods Describe Noncovalent Interactions with Subchemical Accuracy. Journal of Chemical Theory and Computation. 2013.
KARLICKÝ F., Lazar P., Dubecký M., OTYEPKA M. Random Phase Approximation in Surface Chemistry: Water Splitting on Iron. Journal of Chemical Theory and Computation. 2013.
Granatier J., Dubecký M., Lazar P., Otyepka M., Hobza P. Spin-Crossing in an Organometallic Pt-Benzene Complex. Journal of Chemical Theory and Computation. 2013.
Lapčík L., Otyepková E., Lapčíková B., Otyepka M. Surface energy analysis (SEA) study of hyaluronan powders. Colloids and Surfaces A: Physicochemical and Engineering Aspects. 2013.
Zgarbová M., Luque JE., Šponer J., Cheatham TEI., Otyepka M., Jurečka P. Toward Improved Description of DNA Backbone: Revisiting Epsilon and Zeta Torsion Force Field Parameters. Journal of Chemical Theory and Computation. 2013.
Zgarbová M., Luque FJ., Šponer J., Otyepka M., Jurečka P. A Novel Approach for Deriving Force Field Torsion Angle Parameters Accounting for Conformation-Dependent Solvation Effects. Journal of Chemical Theory and Computation. 2012.
Berka K., Anzenbacherová E., Hendrychová T., Lange R., Mašek V., Anzenbacher P., Otyepka M. Binding of Quinidine Radically Increases the Stability and Decreases the Flexibility of the Cytochrome P450 2D6 Active Site. Journal of Inorganic Biochemistry. 2012.
Banáš P., Mládek A., Otyepka M., Zgarbová M., Jurečka P., Svozil D., Lankaš F., Šponer J. Can We Accurately Describe the Structure of Adenine Tracts in B-DNA? Reference Quantum-Chemical Computations Reveal Overstabilization of Stacking by Molecular Mechanics. Journal of Chemical Theory and Computation. 2012.
Lazar P., Otyepka M. Dissociation of Water at Iron Surfaces: Generalized Gradient Functional and Range-Separated Hybrid Functional Study. Journal of Physical Chemistry Part C: Nanomaterials and Interfaces. 2012.
Hendrychová T., Berka K., Navrátilová V., Anzenbacher P., Otyepka M. Dynamics and hydration of the active sites of mammalian cytochromes P450 probed by molecular dynamics simulations. Current Drug Metabolism. 2012.
Hendrychová T., Berka K., Navrátilová V., Anzenbacher P., Otyepka M. Dynamics and Hydration of the Active Sites of Mammalian Cytochromes P450 Probed by Molecular Dynamics Simulations. Current Drug Metabolism. 2012.
Kührová P., De Simone A., Otyepka M., Best R. Force-Field Dependence of Chignolin Folding and Misfolding: Comparison with Experiment and Redesign. Biophysical Journal. 2012.
Georgakilas V., Otyepka M., Bourlinos A., Chandra V., Kim N., Kemp KC., Hobza P., Zbořil R., Kim KS. Functionalization of Graphene: Covalent and Non-Covalent Approaches, Derivatives and Applications. Chemical Reviews. 2012.
Granatier J., Lazar P., Prucek R., Šafářová K., Zbořil R., Otyepka M., Hobza P. Interaction of Graphene and Arenes with Noble Metals. Journal of Physical Chemistry Part C: Nanomaterials and Interfaces. 2012.
Banáš P., Sklenovský P., Wedekind J., Šponer J., Otyepka M. Molecular Mechanism of preQ(1) Riboswitch Action: A Molecular Dynamics Study. Journal of Physical Chemistry B. 2012.
Košinová P., Berka K., Wykes M., Otyepka M., Trouillas P. Positioning of Antioxidant Quercetin and Its Metabolites in Lipid Bilayer Membranes: Implication for Their Lipid-Peroxidation Inhibition. Journal of Physical Chemistry B. 2012.
Krepl M., Zgarbová M., Stadlbauer P., Otyepka M., Banáš P., Koča J., Cheatham TE., Jurečka P., Šponer J. Reference Simulations of Noncanonical Nucleic Acids with Different chi Variants of the AMBER Force Field: Quadruplex DNA, Quadruplex RNA, and Z-DNA. Journal of Chemical Theory and Computation. 2012.
Beššeová I., Banáš P., Kührová P., Košinová P., Otyepka M., Šponer J. Simulations of A-RNA Duplexes. The Effect of Sequence, Solute Force Field, Water Model, and Salt Concentration. Journal of Physical Chemistry B. 2012.
Šponer J., Mládek A., Šponerová JE., Svozil D., Zgarbová M., Banáš P., Jurečka P., Otyepka M. The DNA and RNA sugar–phosphate backbone emerges as the key player. An overview of quantum-chemical, structural biology and simulation studies. Physical Chemistry Chemical Physics. 2012.
Bourlinos AB., Bakandritsos A., Liaros N., Couris S., Šafářová K., Otyepka M., Zbořil R. Water dispersible functionalized graphene fluoride with significant nonlinear optical response. Chemical Physics Letters. 2012.
KARLICKÝ F., OTYEPKA M. First Step in the Reaction of Zerovalent Iron with Water. Journal of Chemical Theory and Computation. 2011.
Hendrychová T., Anzenbacherová E., Hudeček J., SKOPALÍK J., Lange R., Hildebrandt P., Otyepka M., Anzenbacher P. Flexibility of human cytochrome p450 enzymes: Molecular dynamics and spectroscopy reveal important function-related variations. Biochimica et Biophysica Acta - Proteins and Proteomics. 2011.
BERKA K., OTYEPKA M. Insenstivity to Close Contacts and Inability to Predict Protein Foldability. Journal of Biomolecular Structure & Dynamics. 2011.
BERKA K., HENDRYCHOVÁ T., ANZENBACHER P., OTYEPKA M. Membrane position of ibuprofen agrees with suggested access path entrance to cytochrome P450 2C9 active site. Journal of Physical Chemistry A. 2011.
ZGARBOVÁ M., JUREČKA P., BANÁŠ P., OTYEPKA M., Šponer JE., Leontis NB., Zirbel CL., Šponer J. Noncanonical hydrogen bonding in nucleic acids. Benchmark evaluation of key base-phosphate interactions in folded RNA molecules using quantum-chemical calculations and molecular dynamics simulations. Journal of Physical Chemistry A. 2011.
MLÝNSKÝ V., BANÁŠ P., Walter NG., Šponer J., OTYEPKA M. QM/MM Studies of Hairpin Ribozyme Self-Cleavage Suggest the Feasibility of Multiple Competing Reaction Mechanisms. Journal of Physical Chemistry B. 2011.
ZGARBOVÁ M., OTYEPKA M., Šponer J., Mládek A., BANÁŠ P., Cheatham TEI., JUREČKA P. Refinement of the Cornell et al. Nucleic Acids Force Field Based on Reference Quantum Chemical Calculations of Glycosidic Torsion Profiles. Journal of Chemical Theory and Computation. 2011.
Dobeš P., Fanfrlík J., Řezáč J., OTYEPKA M., Hobza P. Transferable scoring function based on semiempirical quantum mechanical PM6-DH2 method: CDK2 with 15 structurally diverse inhibitors. Journal of Computer-Aided Molecular Design. 2011.
SKLENOVSKÝ P., FLOROVÁ P., BANÁŠ P., RÉBLOVÁ K., LANKAŠ F., OTYEPKA M., ŠPONER J. Understanding RNA Flexibility Using Explicit Solvent Simulations: The Ribosomal and Group I Intron Reverse Kink-Turn Motifs. Journal of Chemical Theory and Computation. 2011.
Child ES., Hendrychová T., McCague K., Futreal A., Otyepka M., Mann DJ. A cancer-derived mutation in the PSTAIRE helix of cyclin-dependent kinase 2 alters. Biochimica et Biophysica Acta - Molecular Cell Research. 2010.
Mládek A., Šponer JE., Jurečka P., Banáš P., Otyepka M., Svozil D., Šponer J. Conformational Energies of DNA Sugar-Phosphate Backbone: Reference QM Calculations and a Comparison with Density Functional Theory and Molecular Mechanics. Journal of Chemical Theory and Computation. 2010.
Mlýnský V., Banáš P., Hollas D., Réblová K., Walter NG., Šponer J., Otyepka M. Extensive Molecular Dynamics Simulations Showing That Canonical G8 and Protonated A38H+ Forms Are Most Consistent with Crystal Structures of Hairpin Ribozyme. Journal of Physical Chemistry B. 2010.
Zbořil R., Karlický F., Bourlinos AB., Steriotis TA., Stubos AK., Georgakilas V., Šafářová K., Jančík D., Trapalis C., Otyepka M. Graphene Fluoride: A Stable Stoichiometric Graphene Derivative and its Chemical Conversion to Graphene. Small. 2010.
Sklenovský P., Otyepka M. In Silico Structural and Functional Analysis of Fragments of the Ankyrin Repeat Protein p18INK4c. Journal of Biomolecular Structure & Dynamics. 2010.
Ditzler MA., Otyepka M., Šponer J., Walter NG. Molecular Dynamics and Quantum Mechanics of RNA: Conformational and Chemical Change We Can Believe In. Accounts of Chemical Research. 2010.
Banáš P., Hollas D., Zgarbová M., Jurečka P., Orozco M., Cheatham Iii TE., Šponer J., Otyepka M. Performance of Molecular Mechanics Force Fields for RNA Simulations. Stability of UUCG and GNRA Hairpins. Journal of Chemical Theory and Computation. 2010.
Banáš P., Walter NG., Šponer J., Otyepka M. Protonation states of the key active site residues and structural dynamics of glmS riboswitch as reveled by molecular dynamics. Journal of Physical Chemistry B. 2010.
Šponer JE., Vazquez-Mayagoita A., Sumpter BG., Leszczynski J., Šponer J., Otyepka M., Banáš P., Fuentes-Cabrera M. Theoretical Studies on the Intermolecular Interactions of Potentially Primordial Base-Pair Analogues. Chemistry: A European Journal. 2010.
Gryčová L., Sklenovský P., Lánský Z., Janovská M., Otyepka M., Amler E., Teisinger J., Kubala M. ATP and Magnesium Drive Conformational Changes of the Na+/K+-ATPase Cytoplasmic Headpiece. Biochimica et Biophysica Acta - Biomembranes. 2009.
Beššeová I., Otyepka M., Réblová K., Šponer J. Dependence of A-RNA simulations on the choice of the force field and salt strength. Physical Chemistry Chemical Physics. 2009.
Kubala M., Gryčová L., Lánský Z., Sklenovský P., Janovská M., Otyepka M., Teisinger J. Changes in Electrostatic Surface Potential of Na+/K+-ATPase Cytoplasmic Headpiece Induced by Cytoplasmic Ligand(s) Binding. Biophysical Journal. 2009.
Pavlová M., Klvaňa M., Prokop Z., Chaloupková R., Banáš P., Otyepka M., Wade R., Tsuda M., Nagata Y., Damborský J. Redesigning dehalogenase access tunnels as a strategy for degrading an anthropogenic substrate. Nature Chemical Biology. 2009.
Banáš P., Jurečka P., Walter N., Šponer J., Otyepka M. Theoretical studies of RNA catalysis: Hybrid QM/MM methods and their comparison with MD and QM. Methods. 2009.
Anzenbacher P., Anzenbacherová E., Lange R., Skopalík J., Otyepka M. Active Sites of cytochromes P450: What are They like? Acta Chimica Slovenica. 2008.
Anzenbacher P., Anzenbacherová E., Lange R., Skopalík J., Otyepka M. Active Sites of Cytochromes P450: What are They Like? Acta Chimica Slovenica. 2008.
Banáš P., Rulíšek L., Hánošová V., Svozil D., Walter NG., Šponer J., Otyepka M. General base catalysis for cleavage by the active-site cytosine of the hepatitis delta virus ribozyme: QM/MM calculations establish chemical feasibility. Journal of Physical Chemistry B. 2008.
Kvítek L., Zajoncová L., Molnár J., Richterek L., Maier V., Švrček J., Novák B., Holubová R., Kubala M., Otyepka M., Nevěčná T., Müller L., Dopita M. Jak (ne)popularizovat přírodní vědy. Chemické listy. 2008.
Bártová I., Koča J., Otyepka M. Regulatory phosphorylation of cyclin-dependent kinase 2: insights from molecular dynamics simulations. Journal of Molecular Modeling. 2008.
Otyepka M., Banáš P., Magistrato A., Carloni P., Damborský J. Second step of hydrolytic dehalogenation in haloalkane dehalogenase investigated by QM/MM methods. Proteins: structure, function, and bioinformatics. 2008.
Sklenovský P., Banáš P., Otyepka M. Two C-terminal ankyrin repeats form the minimal stable unit of the ankyrin repeat protein p18INK4c. Journal of Molecular Modeling. 2008.
Anzenbacher P., Anzenbacherová E., Otyepka M., Hudeček J. Why so many cytochromes P450? Prague Medical Report. 2008.
Kubař T., Jurečka P., Černý J., Řezáč J., Otyepka M., Valdés H., Hobza P. Density-functional, density-functional tight-binding and wave function calculations on biomolecular systems. Journal of Physical Chemistry A. 2007.
Filip J., Zbořil R., Schneeweiss O., Zeman J., Černík M., Kvapil P., Otyepka M. Environmental Applications of Chemically Pure Natural Ferrihydrite. Environmental Science & Technology. 2007.
Damborský J., Petřek M., Banáš P., Otyepka M. Identification of tunnels in proteins, nucleic acids, inorganic materials and molecular ensembles. Biotechnology Journal. 2007.
Petřek M., Košinová P., Koča J., Otyepka M. MOLE: A Voronoi Diagram-Based Explorer of Molecular Channels, Pores, and Tunnels. Structure. 2007.
Filipová R., Banáš P., Otyepka M., Nevěčná T., Kvítek L. Není důležité vyhrát, ale stát se vědcem. ChemZi. 2007.
Banáš P., Otyepka M., Rulíšek L., Svozil D., Šponer J. Reaction mechanism of hepatitis delta virus ribosyme self-cleavage reaction. ChemZi. 2007.
Otyepka M., Skopalík J., Anzenbacherová E., Anzenbacher P. What common structural features and variations of mammalian P450s are known to date? Biochimica et Biophysica Acta - General Subjects. 2007.
Petřek M., Otyepka M., Banáš P., Košinová P., Koča J., Damborský J. CAVER: a new tool to explore routes from protein clefts, pockets. BMC Bioinformatics. 2006.
Otyepka M., Bártová I., Kříž Z., Koča J. Different mechanisms of CDK5 and CDK2 activation as revealed by CDK5/p25 and CDK2/cyclin A dynamics. Journal of Biological Chemistry. 2006.
Banáš P., Otyepka M., Jeřábek P., Petřek M., Damborský J. Mechanism of enhanced conversion of 1,2,3-trichloropropane by mutant haloalkane dehalogenase revealed by molecular modeling. Journal of Computer-Aided Molecular Design. 2006.
Petřek M., Otyepka M., Banáš P., Damborský J. Computational analysis of enzyme active site routes anatomy. Materials Structure in Chemistry, Biology, Physics and Technology. 2005.
OTYEPKA M., Bártová I., Kříž Z., Koča J. Dynamics of Human CDK2 and CDK5 Studied by Computer Simulations. Cellular & Molecular Biology Letters. 2005.
Kříž Z., Otyepka M., Bártová I., Koča J. Molecular dynamics study of protein ligand interaction. Cellular & Molecular Biology Letters. 2005.
Banáš P., Otyepka M., Prokop Z., Damborský J. Studium AdN reakčního kroku enzymů haloalkan dehalogenáz metodami teoretické chemie. ChemZi. 2005.
Bártová I., Otyepka M., Kříž Z., Koča J. A molecular dynamics study of the cyclin-dependent kinase-2 (CDK2) with substrate peptide (HHASPRK) inhibition by phosphorylation. Acta Universitatis Palackianae Olomucensis, Facultas Rerum Naturalium, Chemica. 2004.
Kříž Z., Otyepka M., Bártová I., Koča J. Analysis of CDK2 active-site hydration: A method to design new inhibitors. Proteins: structure, function, and bioinformatics. 2004.
Kryštof V., Orság M., Otyepka M., Vojtěšek B., Strnad M. Antiproliferative activity of Olomoucine II, a novel cyclin-dependent kinase inhibitor. Acta Universitatis Palackianae Olomucensis, Facultas Rerum Naturalium, Chemica. 2004.
Otyepka M., Boháč M., Prokop Z., Otyepková E., Damborský J. Enzymatic and Nonenzymatic Dehalogenation of 1,2-chloroethane and 1,2-dibromoethane. Acta Universitatis Palackianae Olomucensis, Facultas Rerum Naturalium, Chemica. 2004.
Anzenbacher P., Anzenbacherová E., Otyepka M. Lessons from known P450 structures. Acta Universitatis Palackianae Olomucensis, Facultas Rerum Naturalium, Chemica. 2004.
Kryštof V., Cankař P., Fryšová I., Slouka J., Otyepka M., Rolčík J., Látr A., Strnad M. Nová skupina inhibitorů cyklin-dependentních kinas: 4-arylazo-3,5-diaminopyrazoly. Chemické listy. 2004.
Fryšová I., Otyepka M., Slouka J., Hlaváč J. Oxoderivaives of quinoxaline VIII. The study of the conformation of some polycyclic N-H acids with quinoxaline and [1,2,4]triazine cycles. Acta Universitatis Palackianae Olomucensis, Facultas Rerum Naturalium, Chemica. 2004.
Bártová I., Kříž Z., Otyepka M., Koča J. CDK2 activation and inhibition by phosphorylation, a molecular dynamics study. Materials Structure in Chemistry, Biology, Physics and Technology. 2003.
Banáš P., Otyepka M., Damborský J. Molecular dynamics simulation of 1,2,3-trichloropropane in the active site of wild type and mutant haloalkane dehalogenase DhaA. Materials Structure in Chemistry, Biology, Physics and Technology. 2003.
Moravec J., Havlíček L., Moravcová D., Hanuš J., Fuksová K., Otyepka M., Kryštof V., Strnad M. Tetrasubstituted Purines as Inhibitors of CDK1. Cellular & Molecular Biology Letters. 2003.
Wiedermanová Y., Otyepka M., Stýskala J., Slouka J. The synthesis of some polycyclic N-H acids with quinoxaline and [1,2,4]triazine cycles. Arkivoc. 2003.
Moravec J., KRYŠTOF V., Hanuš J., Havlicek L., Moravcova D., Kuzma M., LENOBEL R., OTYEPKA M., STRNAD M. 2,6,8,9-tetrasubstituted purines as new CDK1 inhibitors. Bioorganic & Medicinal Chemistry Letters. 2003.
Moravec J., KRYŠTOF V., Hanuš J., HAVLÍČEK L., Moravcová D., Fuksová K., Kuzma M., LENOBEL R., Otyepka M., Strnad M. 2,6,8,9-tetrasubstituted purines as new CDK1 inhibitors. Bioorganic & Medicinal Chemistry Letters. 2003.
Otyepka M., Kříž Z., Koča J. Dynamics and binding modes of free cdk2 and its two complexes with inhibitors studied by computer simulations. Journal of Biomolecular Structure & Dynamics. 2002.
Kříž Z., Otyepka M., Koča J. Hydration of the cdk2 active site. Molecular dynamics study. Chemické listy. 2002.
Kvítek L., Jelínek J., Hrubá V., Nevěčná T., Otyepka M., Jirásková E., Klečková M., Ševčík J. Chemická olympiáda - hrátky pro vyvolené nebo šance pro všechny ? Chemické listy. 2002.
Bártová I., Kříž Z., Otyepka M., Koča J. Molecular dynamics simulation of cdk2/ATP complex. Chemické listy. 2002.
Kříž Z., Otyepka M., Koča J. Molecular Modeling of Peptides and Proteins at NCBR. Materials Structure in Chemistry, Biology, Physics and Technology. 2002.
Otyepka M., Strnad M., Damborský J., Kříž Z., Koča J. Molecular Modeling of Peptides and Proteins at NCBR. Materials Structure in Chemistry, Biology, Physics and Technology. 2002.
PŘÍSPĚVEK VE SBORNÍKU
Navrátil J., Langer R., Otyepka M., Susi T., Blonski P. Graphene-Supported Atom-Sized Magnets for Data Storage: What Can We Learn from First-Principles Calculations? 2023 IEEE IInternational Magnetic Conference - Short Papers, INTERMAG Short Papers 2023 - Proceedings. 2023.
Banáš P., Petřek M., Otyepka M., Košinová P., Damborský J. CAVER: A program for molecular speleology. Proceedings from XX. Biochemický zjazd. 2006.
Kvítek L., Zajoncová L., Molnár J., Richterek L., Maier V., Švrček J., Novák B., Holubová R., Kubala M., Otyepka M., Müller L. Pojďme soutěžit? Nové metody propagace přírodních věd mezi mládeží (2006). 2006.
Klečková M., Kvítek L., Dopita M., Holubová R., Kubala M., Maier V., Molnár J., Müller L., Novák B., Otyepka M., Richterek L., Švrček J., Zajoncová L. Soutěže tvořivosti mládeže zaměřené na motivaci pro vědecko výzkumnou činnost v oblasti přírodních věd. Súčasnosť a perspektivy didaktiky chémie. 2006.
Otyepka M., Banáš P., Damborský J., Magistrato A., Carloni P. THE IMPORTANCE OF THE OXYANION HOLE IN ESTER HYDROLYSIS OF ENZYMATIC DEHALOGENTION CATALYZED BY HALOALKANE DEHALOGENASE REVEALED BY QM/MM CALCULATIONS. Proceedings from XX. Biochemický zjazd. 2006.
Bártová I., Otyepka M., Kříž Z., Koča J. The role of phosphorylation in cyclin dependent kinase 2 and 5 regulation. A computer simulation study. Proceedings from XX. Biochemický zjazd. 2006.
Otyepka M., Damborský J. Dynamics of 1,2-dichloroethane in the active site of haloalkane dehalogenase LinB: Effect of solvent and halide ion on productive binding. Materials Structure in Chemistry, Biology, Physics and Technology. 2003.
Kryštof V., Moravcová D., Moravec J., Havlíček L., Hanuš J., Fuksová K., Vermeulen K., Berneman Z., Otyepka M., Lenobel R., Strnad M. Purine based inhibitors of cyclin-dependent kinases. TARGETED SEARCH FOR ANTICANCER DRUGS March 17-19, 2003, Madrid, Spain. 2003.
Damborský J., Jesenská A., Prokop Z., Kmuníček J., Boháč J., Sýkorová J., Chaloupková R., Pavlová M., Jedlička T., Monincová M., Strouhal M., Budová M., Koča J., Otyepka M., Nagata Y., Wilce M. Protein Engineering of Dehalogenating Enzymes. Materials Structure in Chemistry, Biology, Physics and Technology. 2002.
KNIHA - CELEK
Otyepka M., Skopalík J., Anzenbacher P. Dynamics of human Cytochromes P450 studied by molecular simulations. Symposium on Cytochrome P450 Biodiversity and Biotechnology, Nice, France. 2008.
Anzenbacher P., Anzenbacherová E., Otyepka M., Hudeček J. Rozdíly ve flexibilitě center P450. XXI. biochemický sjezd České Budějovice 14.-17. září 2008. 2008.
KAPITOLA V KNIZE
Lapčík L., Otyepková E., Lapčíková B., Otyepka M., Vlček J., Kupská I. Physicochemical analysis of hyaluronic acid powder for cosmetic and pharmaceutical processing. In Collins MN. (Eds.) Hyaluronic acid for biomedical and pharmaceutical applications. 2014.
Anzenbacherová E., Berka K., Otyepka M., Anzenbacher P. Structural properties of CYP2D6: requirements for substrates and inhibitors. CYP2D6: Genetics, Pharmacology and Clinical Relevance. 2014.
Šponer J., Otyepka M., Banáš P., Réblová K., Walter N. Innovations in Biomolecular Modeling and Simulations (Vol. 2 Chap. 6): Molecular Dynamics Simulations of RNA Molecules. Innovations in Biomolecular Modeling and Simulations Volume 2. 2012.
PATENT, UŽITNÝ VZOR, PRŮMYSLOVÝ VZOR
Otyepka M., Bakandritsos A., Šedajová V., Jakubec P. NITROGEN AND FLUORINE DOPED GRAPHENE AND USE THEREOF. 2021.
POLOPROVOZ, TECHNOLOGIE
ABSTRAKT
ANZENBACHEROVÁ E., Tunková A., BERKA K., OTYEPKA M., Nobilis M., ANZENBACHER P. Active site properties determine O-demethylation of nabumetone by CYP1A2. Conference and Abstract Book. 2011.
Anzenbacher P., Anzenbacherová E., Hendrychová T., Otyepka M., Hudeček J., Hildebrandt P., Lange R. Flexibilita aktivních míst cytochromů P450. XXV. Xenobiochemické symposium, Mikulov 22.-25.9.2009, Sborník abstraktů posterů a přednášek. 2009.
Anzenbacher P., Anzenbacherová E., Hendrychová T., Otyepka M., Hudeček J., Hildebrandt P., Lange R. Flexibility and plasticity of the structures of cytochromes P450 as a property determining their function. 34th Congress of the Federation-of-European-Biochemical-Societies, Prague, CZECH REPUBLIC, IF = 3,139. 2009.
Kubala M., Gryčová L., Lánský Z., Sklenovský P., Janovská M., Otyepka M., Teisinger J. Monitoring of the electrostatic surface potential on the Na+/K+-ATPase cytoplasmic headpiece. European Biophysics Journal. 2009.
Banáš P., Walter N., Šponer J., Otyepka M. Structural Insight into RNA Catalysis Revealed by Molecular Dynamics Simulations and QM/MM Calculation. Journal of Biomolecular Structure & Dynamics. 2009.
Džubák P., Šarek J., Anzenbacher P., Mašek V., Novák P., Havlíček V., Otyepka M., Vydra D., Hajdúch M. Betulinine JS8 induces apoptosis in tumor cells by mitochondrial disruption via specific non-covalent interactions with cytochrome c. F E B S Journal. 2008.
Džubák P., Šarek J., Anzenbacher P., Mašek V., Novák P., Havlíček V., Otyepka M., Vydra D., Hajdúch M. Betulinine JS8 induces apoptosis intumor cells by mitochondrial disruption via specific non-covalent interactions with cytochrome c. F E B S Journal. 2008.
Kubala M., Gryčová L., Sklenovský P., Lánský Z., Otyepka M., Teisinger J. Dynamic of the Na+/K+-ATPase large cytoplasmic loop. Na,K-ATPase and related transport ATPases of P-type (12th International ATPase Conference). 2008.
Anzenbacher P., Anzenbacherová E., Otyepka M., Hudeček J., Hildebrandt P., Lange R. Flexibility od cytochrome P450 active sites as a necessary condition of their function. Interdisciplinary Toxicology. 2008.
Kubala M., Gryčová L., Sklenovský P., Lánský Z., Otyepka M., Teisinger J. Měření parametrů tryptofanové fluorescence ve spojení s molekulárně-dynamickými výpočty jako nástroj pro sledování dynamiky proteinů. Chemické listy. 2008.
Kubala M., Gryčová L., Sklenovský P., Lánský Z., Otyepka M., Teisinger J. Měření parametrů tryptofanové fluorescence ve spojení s molekulárnědynamickými výpočty jako nástroj pro sledování dynamiky proteinů. Chemické listy. 2008.
Zelený T., Sklenovský P., Otyepka M. Tvorba nových úloh do předmětu molekulární modelování. Chemické listy. 2008.
Kubala M., Grycova L., Lánský Z., Otyepka M., Sklenovský P., Teisinger J. Conformational changes of the cytoplasmic part of Na+/K+-ATPase induced by the ligand binding. F E B S Journal. 2007.
Otyepka M., Skopalík J., Anzenbacher P. Flexibilities of human microsomal cytochromes P450 studied by classical MD. Modeling Interaction in Biomolecules III. 2007.
Anzenbacher P., Anzenbacherová E., Otyepka M., Skopalík J., Hudeček J., Seliškar M., Lange R., Hildebrant P. Flexibility of cytochrome P450 active sites. 15th International Conference on Cytochromes P450. 2007.
Filipová R., Banáš P., Otyepka M., Nevěčná T., Kvítek L. Stát se vědcem? Nové metody propagace přírodních věd mezi mládeží aneb Věda je zábava (2007). 2007.
Anzenbacher P., Anzenbacherová E., Otyepka M. Cytochromes P450: From history to structure. XX. Biochemický zjazd; Piešťany, Slovakia. 2006.
Otyepka M., Banáš P., Damborský J., Magistrato A., Carloni P. Ester hydrolysis, the second reaction step of hydrolytic dehalogenation catalyzed by enzyme haloalkande dehalogenase from Sphingomonas paucimobilis UT26 in QM/MM focus. XIIth International Congress of Quantum Chemistry. 2006.
Strnad M., Havlíček L., Kryštof V., Hanuš J., Spíchal L., Moravcová D., Moravec J., Zatloukal M., Popa I., Paprskářová M., Orság M., Otyepka M., Hajdúch M., Džubák P., Kolář Z., Binarová P., Cenklová V. Purine inhibitors of cyclin-dependent kinases as new generation of anticancer drugs. Biomedical Papers-Olomouc. 2006.
Anzenbacher P., Anzenbacherová E., Otyepka M., Hudeček J. Aktivní místa cytochrom P450: Mýty a skutečnost. XXIII. Xenobiochemické symposium, Valtice. 2005.
Bártová I., OTYEPKA M., Kříž Z., Koča J. Cyclin-Dependent Protein Kinase-2 Regulation by Phoshorylation, A molecular Dynamics Study. Cellular & Molecular Biology Letters. 2003.
OTYEPKA M., Kříž Z., Koča J. Molecular dynamics study on free cdk2 and its complexes with purine-like inhibitors. Cellular & Molecular Biology Letters. 2001.
Kříž Z., OTYEPKA M., Koča J. Solvent behavior in the molecular dynamics simulations of free cdk2 and its complexes with inhibitors. Cellular & Molecular Biology Letters. 2001.
PŘEDNÁŠKA NEBO POSTER
Zgarbová M., Jurečka P., Otyepka M. Extravagant Balance of forces in AMBER force field-How does it Work? Comparision with Reference SAPT Calculations. ISOLATED BIOMOLECULES AND BIOMOLECULAR INTERACTIONS 2008. .
Banáš P., Otyepka M., Rulíšek L., Svozil D., Šponer J. General base catalysis of hepatitis delta virus ribozyme self-cleavage reaction. FASEB Summer Research Conferences: Nucleic Acid Enzymes. .
Sklenovský P., Otyepka M. In Silico Heat Denaturation of the Non-globular Protein p18INK4C Reveals the Enhanced Stability of the C-terminal Repeats. ISOLATED BIOMOLECULES AND BIOMOLECULAR INTERACTIONS 2008. .
Petřek M., Koča J., Otyepka M. MOLEONLINE: An Interactive Web-Based Tool to Find and Analyze Molecular Cannels, Tunnels and Pores. The World Association of Theoretical and Computational Chemists - WATOC 2008. .
Jurečka P., Polcr P., Vondrášek J., Hobza P., Otyepka M. On the Relative Importance of Dispersion and Hydrofobic Effect for Stability of Proteins. ISOLATED BIOMOLECULES AND BIOMOLECULAR INTERACTIONS 2008. .
Banáš P., Rulíšek L., Svozil D., Walter N., Šponer J., Otyepka M. Self-Cleavage Catalysis of the Hepatitis Delta Virus Ribozyme Investigated by QM/MM Calculations. The World Association of Theoretical and Computational Chemists - WATOC 2008. .
Florová P., Banáš P., Sklenovský P., Otyepka M. The Influence of Explicit Water Models on Proteins Structure and Stability Studied by Molecular Dynamic. ISOLATED BIOMOLECULES AND BIOMOLECULAR INTERACTIONS 2008. .
Navrátilová V., Paloncýová M., Berka K., Anzenbacher P., Otyepka M. Membrane attached cytochrome p450: from structure to mechanism of drug binding. 2017.
Otyepka M., Skopalík J., Anzenbacher P. Dynamic of human Cytochromes P450 studied by molecular simulations. 9th International Symposium on Cytochrome P450 Biodiversity and Biotechnology. 2008.
Skopalík J., Otyepka M., Anzenbacher P. Flexibility and active site solvation of CYP3A4, 2C9 and 2A6 studied by molecular dynamics. 15th International Conference on Cytochrome P450. 2007.
Skopalík J., Otyepka M., Anzenbacher P. Flexibility and active site solvation of CYP3A4, 2C9 and 2A6 studied by molecular dynamics. 15th International Conference on Cytochromes P450. 2007.
Banáš P., Otyepka M., Rulíšek L., Svozil D., Šponer J. General-base catalysis of hepatitis delta virus ribozyme self-cleavage reaction. Modeling Interaction in Biomolecules III. 2007.
Otyepka M., Sklenovský P. In silico fragmentation of ankyrin-repeat protein p18INK4c. 63rd Harden Conference on Protein folding and assembly in vitro and in vivo. 2007.
Otyepka M., Sklenovský P., Jurečka P. Role of turns in the stabilization of secondary structure elements of ankyrin-repeat fold fragments. 7th International Conference on Protein Stabilization. 2007.
Sklenovský P., Kubešová K., Otyepka M. The role of context in the stabilization of ankyrin repeat protein p18INK4c: A molecular dynamics study. Modeling Interaction in Biomolecules III. 2007.
SOFTWARE
Petřek M., Koča J., Otyepka M. MOLE 1.n. 2008.
Petřek M., Koča J., Otyepka M. MOLEOnline 1.n. 2008.
Petřek M., Otyepka M., Koča J., Damborský J. CAVER 1.n. 2006.
ZPRÁVA
Čépe K., Otyepková E., Stráská J., Kašlík J., Otyepka M. Strukturní a chemická charakterizace API látek pomocí SEM, SEA a XRD. 2017.
Čépe K., Otyepková E., Prudilová B., Otyepka M. Charakterizace fyzikálně chemických vlastností API látek. 2016.
Čépe K., Filip J., Stráská J., Bazgerová P., Kašlík J., Otyepka M. Charakterizace nanočástic TiO2 pomocí elektronové mikroskopie a XRD. 2016.
Čépe K., Stráská J., Bazgerová P., Otyepka M. Studium nanočástic a substrátu C3N4 pomocí elektronové mikroskopie. 2016.
Čépe K., Tomanec O., Lapčík L., Otyepka M. Charakterizace a identifikace strukturních fází nanočástic TiO2. 2015.
Čépe K., Otyepková E., Prudilová B., Lapčík L., Otyepka M. Charakterizace fyzikálně chemických vlastností API látek. 2015.
Čépe K., Filip J., Opletal T., Otyepka M. Charakterizace tenkých vrstev pomocí AFM a XPS. 2015.
Berka K., Paloncýová M., Otyepka M. Skin Partitioning Prediction of Drug-like Compounds. 2015.
Čépe K., Otyepková E., Lapčík L., Otyepka M. Charakterizace fyzikálně chemických vlastností API látek. 2014.
Berka K., Paloncýová M., Sovová Ž., Jurečka P., Otyepka M. Molecular Modelling of Skin Barrier. 2014.
Šafářová K., Tomanec O., Otyepka M. Charakterizace API látek pomocí elektronové mikroskopie. 2013.
Berka K., Paloncýová M., Otyepka M. Permeation through lipid membranes. 2013.
Šafářová K., Lapčík L., Otyepka M., Otyepková E., Vlček J., Křížek M. Surface Properties of Active Pharmaceutical Ingredients. 2013.
Lapčík L., Otyepka M., Zbořil R., Lapčíková B., Otyepková E., Tuček P., Vlček J., Macharáčková M. Testování zvýšení odolnosti obalů na bázi papíru o vysokém naplnění mikro/nano částicemi kaolinu proti průsaku tuků, zejména na bázi palmového oleje. 2013.
Berka K., Paloncýová M., Otyepka M. Small Molecules Penetration Through Membranes. 2012.

Uživatel nepovolil zobrazení dat v Portále UP.

Ph.D. studium na UP

Jméno Fakulta Studijní program Rok ukončení
HENDRYCHOVÁ PRF Chemie 2012
BANÁŠ PRF Chemie 2009
MLÝNSKÝ PRF Chemie 2014
FLOROVÁ PRF Chemie 2011
SKLENOVSKÝ PRF Chemie 2011
LANGER PRF Chemie 2022
PALONCÝOVÁ PRF Chemie 2016
CHANTEMARGUE PRF Chemistry 2018
NAVRÁTILOVÁ PRF Chemie 2018
Seznam obsahuje absolventy úspěšně ukončeného doktorského studia.

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