| Year |
Citation |
Score |
| 2021 |
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. The Febs Journal. PMID 34743390 DOI: 10.1111/febs.16270 |
0.506 |
|
| 2021 |
Kolařík J, Bakandritsos A, Bad'ura Z, Lo R, Zoppellaro G, Kment Š, Naldoni A, Zhang Y, Petr M, Tomanec O, Filip J, Otyepka M, Hobza P, Zbořil R. Carboxylated Graphene for Radical-Assisted Ultra-Trace-Level Water Treatment and Noble Metal Recovery. Acs Nano. PMID 33464824 DOI: 10.1021/acsnano.0c10093 |
0.383 |
|
| 2020 |
Vermisoglou EC, Jakubec P, Malina O, Kupka V, Schneemann A, Fischer RA, Zbořil R, Jayaramulu K, Otyepka M. Hierarchical Porous Graphene-Iron Carbide Hybrid Derived From Functionalized Graphene-Based Metal-Organic Gel as Efficient Electrochemical Dopamine Sensor. Frontiers in Chemistry. 8: 544. PMID 32850616 DOI: 10.3389/Fchem.2020.00544 |
0.303 |
|
| 2020 |
Langer R, Błoński P, Hofer C, Lazar P, Mustonen K, Meyer JC, Susi T, Otyepka M. Tailoring Electronic and Magnetic Properties of Graphene by Phosphorus Doping. Acs Applied Materials & Interfaces. PMID 32618184 DOI: 10.1021/Acsami.0C07564 |
0.318 |
|
| 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. PMID 32384244 DOI: 10.1021/Acs.Jctc.0C00228 |
0.302 |
|
| 2020 |
Kouloumpis A, Chronopoulos DD, Potsi G, Pykal M, Vlček J, Scheibe M, Otyepka M. One-step synthesis of Janus fluorographene derivatives. Chemistry (Weinheim An Der Bergstrasse, Germany). PMID 32027766 DOI: 10.1002/Chem.201905866 |
0.305 |
|
| 2020 |
Langer R, Fako E, Błoński P, Vavrečka M, Bakandritsos A, Otyepka M, López N. Anchoring of single-platinum-adatoms on cyanographene: Experiment and theory Applied Materials Today. 18: 100462. DOI: 10.1016/J.Apmt.2019.100462 |
0.311 |
|
| 2019 |
Manzanares-Palenzuela CL, Pourrahimi AM, Gonzalez-Julian J, Sofer Z, Pykal M, Otyepka M, Pumera M. Interaction of single- and double-stranded DNA with multilayer MXene by fluorescence spectroscopy and molecular dynamics simulations. Chemical Science. 10: 10010-10017. PMID 32055358 DOI: 10.1039/C9Sc03049B |
0.322 |
|
| 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. 10: 9438-9445. PMID 32055319 DOI: 10.1039/C9Sc02954K |
0.306 |
|
| 2019 |
Seelajaroen H, Bakandritsos A, Otyepka M, Zbořil R, Sariciftci NS. Immobilized Enzymes on Graphene as Nano-Bio-Catalyst. Acs Applied Materials & Interfaces. PMID 31816230 DOI: 10.1021/Acsami.9B17777 |
0.3 |
|
| 2019 |
Vermisoglou EC, 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 : a Publication of the American Chemical Society. 31: 4698-4709. PMID 31371868 DOI: 10.1021/Acs.Chemmater.9B00655 |
0.323 |
|
| 2019 |
Jayaramulu K, Geyer F, Schneemann A, Kment Š, Otyepka M, Zboril R, Vollmer D, Fischer RA. Hydrophobic Metal-Organic Frameworks. Advanced Materials (Deerfield Beach, Fla.). e1900820. PMID 31155761 DOI: 10.1002/Adma.201900820 |
0.304 |
|
| 2019 |
Kührová P, Mlynsky V, Zgarbova M, Krepl M, Bussi G, Best RB, Otyepka M, Sponer J, Banáš P. IMPROVING THE PERFORMANCE OF THE AMBER RNA FORCE FIELD BY TUNING THE HYDROGEN-BONDING INTERACTIONS. Journal of Chemical Theory and Computation. PMID 30896943 DOI: 10.1021/Acs.Jctc.8B00955 |
0.318 |
|
| 2019 |
Langer R, Zaoralová D, Medved’ M, Banáš P, Błoński P, Otyepka M. Variability of C–F Bonds Governs the Formation of Specific Structural Motifs in Fluorinated Graphenes The Journal of Physical Chemistry C. 123: 27896-27903. DOI: 10.1021/Acs.Jpcc.9B07552 |
0.328 |
|
| 2019 |
Lazar P, Mach R, Otyepka M. Spectroscopic Fingerprints of Graphitic, Pyrrolic, Pyridinic, and Chemisorbed Nitrogen in N-Doped Graphene Journal of Physical Chemistry C. 123: 10695-10702. DOI: 10.1021/Acs.Jpcc.9B02163 |
0.322 |
|
| 2019 |
Pykal M, Langer M, Prudilová BB, Banáš P, Otyepka M. Ion Interactions across Graphene in Electrolyte Aqueous Solutions Journal of Physical Chemistry C. 123: 9799-9806. DOI: 10.1021/Acs.Jpcc.8B12055 |
0.334 |
|
| 2019 |
Barès 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. 145: 251-258. DOI: 10.1016/J.Carbon.2019.01.059 |
0.32 |
|
| 2019 |
Mosconi D, Blanco M, Gatti T, Calvillo L, Otyepka M, Bakandritsos A, Menna E, Agnoli S, Granozzi G. Arene C H insertion catalyzed by ferrocene covalently heterogenized on graphene acid Carbon. 143: 318-328. DOI: 10.1016/J.Carbon.2018.11.010 |
0.312 |
|
| 2019 |
Potsi G, Bourlinos AB, Mouselimis V, Poláková K, Chalmpes N, Gournis D, Kalytchuk S, Tomanec O, Błoński P, Medveď M, Lazar P, Otyepka M, Zbořil R. Intrinsic photoluminescence of amine-functionalized graphene derivatives for bioimaging applications Applied Materials Today. 17: 112-122. DOI: 10.1016/J.Apmt.2019.08.002 |
0.315 |
|
| 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 γ-secretase in Alzheimer's disease. Biochimica Et Biophysica Acta. Biomembranes. 1860: 2224-2233. PMID 30409518 DOI: 10.1016/J.Bbamem.2018.09.003 |
0.314 |
|
| 2018 |
de la Torre B, Švec M, Hapala P, Redondo J, Krejčí O, Lo R, Manna D, Sarmah A, Nachtigallová D, Tuček J, Błoński 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. 9: 2831. PMID 30026582 DOI: 10.1038/S41467-018-05163-Y |
0.478 |
|
| 2018 |
Matochová D, Medved' M, Bakandritsos A, Steklý T, Zbořil R, Otyepka M. 2D Chemistry: Chemical Control of Graphene Derivatization. The Journal of Physical Chemistry Letters. 9: 3580-3585. PMID 29890828 DOI: 10.1021/Acs.Jpclett.8B01596 |
0.309 |
|
| 2018 |
Pravda L, Sehnal D, Toušek D, Navrátilová V, Bazgier V, Berka K, Svobodová Vareková R, Koca J, Otyepka M. MOLEonline: a web-based tool for analyzing channels, tunnels and pores (2018 update). Nucleic Acids Research. 46: W368-W373. PMID 29718451 DOI: 10.1093/Nar/Gky309 |
0.602 |
|
| 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. PMID 29693674 DOI: 10.1039/C8Nr00329G |
0.33 |
|
| 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. 183: 117-136. PMID 29653695 DOI: 10.1016/J.Jinorgbio.2018.03.002 |
0.617 |
|
| 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. PMID 29530601 DOI: 10.1016/J.Phrs.2018.02.029 |
0.6 |
|
| 2018 |
Medveď M, Zoppellaro G, Ugolotti J, Matochová 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. PMID 29442111 DOI: 10.1039/C7Nr09426D |
0.316 |
|
| 2018 |
Pravda L, Sehnal D, Svobodová Vareková R, Navrátilová V, Toušek D, Berka K, Otyepka M, Koca J. ChannelsDB: database of biomacromolecular tunnels and pores. Nucleic Acids Research. 46: D399-D405. PMID 29036719 DOI: 10.1093/Nar/Gkx868 |
0.591 |
|
| 2018 |
Pravda L, Sehnal D, Berka K, Navrátilová V, Toušěk D, Bazgier V, Svobodová Vařeková R, Otyepka M, Koča J. Channelsdb and Moleonline - Database and Tool for Analysis of Biomacromolecular Tunnels and Pores Biophysical Journal. 114: 342a-343a. DOI: 10.1016/J.Bpj.2017.11.1912 |
0.557 |
|
| 2017 |
Chronopoulos DD, Bakandritsos A, Pykal M, Zbořil R, Otyepka M. Chemistry, properties, and applications of fluorographene. Applied Materials Today. 9: 60-70. PMID 29238741 DOI: 10.1016/J.Apmt.2017.05.004 |
0.302 |
|
| 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. 9: 19236-19244. PMID 29188849 DOI: 10.1039/C7Nr07342A |
0.578 |
|
| 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. 1861: 2852-2860. PMID 28780123 DOI: 10.1016/J.Bbagen.2017.08.002 |
0.582 |
|
| 2017 |
Havrila M, Stadlbauer P, Islam B, Otyepka M, Sponer J. Effect of Monovalent Ion Parameters on Molecular Dynamics Simulations of G-Quadruplexes. Journal of Chemical Theory and Computation. PMID 28657760 DOI: 10.1021/Acs.Jctc.7B00257 |
0.301 |
|
| 2017 |
Islam B, Stadlbauer P, Gil Ley A, Pérez-Hernández G, Haider S, Neidle S, Bussi G, Banáš P, Otyepka M, Sponer J. Exploring the Dynamics of Propeller Loops in Human Telomeric DNA Quadruplexes Using Atomistic Simulations. Journal of Chemical Theory and Computation. PMID 28475322 DOI: 10.1021/Acs.Jctc.7B00226 |
0.302 |
|
| 2017 |
Bakandritsos A, Pykal M, Błoński P, Jakubec P, Chronopoulos DD, Poláková K, Georgakilas V, Čépe K, Tomanec O, Ranc V, Bourlinos AB, Zbořil R, Otyepka M. Cyanographene and Graphene Acid: Emerging Derivatives Enabling High-Yield and Selective Functionalization of Graphene. Acs Nano. 11: 2982-2991. PMID 28208019 DOI: 10.1021/Acsnano.6B08449 |
0.315 |
|
| 2017 |
Karlicky F, Otyepkova E, Lo R, Pitonak M, Jurecka 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. PMID 28145699 DOI: 10.1021/Acs.Jctc.6B01130 |
0.479 |
|
| 2017 |
Błoński P, Otyepka M. First-principles study of the mechanism of wettability transition of defective graphene. Nanotechnology. 28: 064003. PMID 28071594 DOI: 10.1088/1361-6528/Aa53C5 |
0.319 |
|
| 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. 8. PMID 27863061 DOI: 10.1002/Wrna.1405 |
0.304 |
|
| 2017 |
Berka K, Sehnal D, Bazgier V, Pravda L, Svobodova-Varekova R, Otyepka M, Koca J. Mole 2.5 - Tool for Detection and Analysis of Macromolecular Pores and Channels Biophysical Journal. 112: 292a-293a. DOI: 10.1016/J.Bpj.2016.11.1585 |
0.607 |
|
| 2016 |
Froning 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. PMID 27735008 DOI: 10.1039/C6Nr05799C |
0.318 |
|
| 2016 |
Navrátilová V, Paloncýová M, Berka K, Otyepka M. Effect of Lipid Charge on Membrane Immersion of Cytochrome P450 3A4. The Journal of Physical Chemistry. B. 120: 11205-11213. PMID 27723344 DOI: 10.1021/Acs.Jpcb.6B10108 |
0.621 |
|
| 2016 |
Bazgier V, Berka K, Otyepka M, Banáš P. Exponential repulsion improves structural predictability of molecular docking. Journal of Computational Chemistry. 37: 2485-94. PMID 27620738 DOI: 10.1002/Jcc.24473 |
0.605 |
|
| 2016 |
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. 111: 471-486. PMID 27378566 DOI: 10.1016/J.Phrs.2016.06.030 |
0.61 |
|
| 2016 |
Galindo-Murillo R, Robertson JC, Zgarbova M, Sponer J, Otyepka M, Jurecka P, Cheatham TE. Assessing the current state of AMBER force field modifications for DNA. Journal of Chemical Theory and Computation. PMID 27300587 DOI: 10.1021/Acs.Jctc.6B00186 |
0.301 |
|
| 2016 |
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. 12: 2101-9. PMID 26967371 DOI: 10.1021/Acs.Jctc.6B00075 |
0.611 |
|
| 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. PMID 26879645 DOI: 10.1039/C6Nr00353B |
0.312 |
|
| 2016 |
Scott EE, Wolf CR, Otyepka M, Humphreys SC, Reed JR, Henderson CJ, McLaughlin LA, Paloncyova M, Navratilova V, Berka K, Anzenbacher P, Dahal UP, Barnaba C, Brozik JA, Jones JP, et al. The Role of Protein-Protein and Protein-Membrane Interactions on P450 Function. Drug Metabolism and Disposition: the Biological Fate of Chemicals. PMID 26851242 DOI: 10.1124/Dmd.115.068569 |
0.607 |
|
| 2016 |
Pykal M, Jurečka P, Karlický F, Otyepka M. Modelling of graphene functionalization. Physical Chemistry Chemical Physics : Pccp. 18: 6351-72. PMID 26323438 DOI: 10.1039/C5Cp03599F |
0.335 |
|
| 2016 |
Berka K, Sehnal D, Pravda L, Vařeková RS, Otyepka M, Koča J. MOLE – remastering of tool for detection and analysis of functional "void spaces" within biomacromolecules F1000research. 5. DOI: 10.7490/F1000Research.1113118.1 |
0.544 |
|
| 2016 |
Otyepková E, Lazar P, Čépe K, Tomanec O, Otyepka M. Organic adsorbates have higher affinities to fluorographene than to graphene Applied Materials Today. 5: 142-149. DOI: 10.1016/J.Apmt.2016.09.016 |
0.302 |
|
| 2015 |
Krepl M, Havrila M, Stadlbauer P, Banas P, Otyepka M, Pasulka J, Stefl R, Sponer J. Can We Execute Stable Microsecond-Scale Atomistic Simulations of Protein-RNA Complexes? Journal of Chemical Theory and Computation. 11: 1220-43. PMID 26579770 DOI: 10.1021/Ct5008108 |
0.315 |
|
| 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. 11: 3866-77. PMID 26574468 DOI: 10.1021/Acs.Jctc.5B00010 |
0.487 |
|
| 2015 |
Havrila M, Zgarbová M, Jurečka P, Banáš P, Krepl M, Otyepka M, Šponer J. Microsecond-Scale MD Simulations of HIV-1 DIS Kissing-Loop Complexes Predict Bulged-In Conformation of the Bulged Bases and Reveal Interesting Differences between Available Variants of the AMBER RNA Force Fields. The Journal of Physical Chemistry. B. 119: 15176-90. PMID 26548477 DOI: 10.1021/Acs.Jpcb.5B08876 |
0.333 |
|
| 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. PMID 26433223 DOI: 10.1093/Nar/Gkv994 |
0.301 |
|
| 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. The Journal of Physical Chemistry Letters. 6: 1430-4. PMID 26263147 DOI: 10.1021/Acs.Jpclett.5B00565 |
0.324 |
|
| 2015 |
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. The Journal of Physical Chemistry. B. 119: 9811-9. PMID 26151643 DOI: 10.1021/Acs.Jpcb.5B05522 |
0.592 |
|
| 2015 |
Fabre G, Hänchen A, Calliste CA, Berka K, Banala S, Otyepka M, Süssmuth RD, Trouillas P. Lipocarbazole, an efficient lipid peroxidation inhibitor anchored in the membrane. Bioorganic & Medicinal Chemistry. PMID 26068016 DOI: 10.1016/J.Bmc.2015.05.031 |
0.603 |
|
| 2015 |
Lazar P, Chua CK, Holá K, Zbořil R, Otyepka M, Pumera M. Dichlorocarbene-Functionalized Fluorographene: Synthesis and Reaction Mechanism. Small (Weinheim An Der Bergstrasse, Germany). 11: 3790-6. PMID 25939616 DOI: 10.1002/Smll.201500364 |
0.314 |
|
| 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. PMID 25858644 DOI: 10.1002/Bip.22657 |
0.306 |
|
| 2015 |
Fabre G, Bayach I, Berka K, Paloncýová M, Starok M, Rossi C, Duroux JL, 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 (Cambridge, England). 51: 7713-6. PMID 25851839 DOI: 10.1039/C5Cc00636H |
0.577 |
|
| 2015 |
Urbanová V, Holá K, Bourlinos AB, 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 (Deerfield Beach, Fla.). 27: 2305-10. PMID 25692678 DOI: 10.1002/Adma.201500094 |
0.301 |
|
| 2015 |
Mlýnský V, Kührová P, Zgarbová M, Jure?ka 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 ε/ζ force field reparametrizations. The Journal of Physical Chemistry. B. 119: 4220-9. PMID 25692537 DOI: 10.1021/Jp512069N |
0.333 |
|
| 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. The Journal of Physical Chemistry. B. 119: 3988-98. PMID 25679231 DOI: 10.1021/Jp5092366 |
0.609 |
|
| 2015 |
Kocman M, Jure?ka P, Dubecký M, Otyepka M, Cho Y, Kim KS. Choosing a density functional for modeling adsorptive hydrogen storage: reference quantum mechanical calculations and a comparison of dispersion-corrected density functionals. Physical Chemistry Chemical Physics : Pccp. 17: 6423-32. PMID 25655486 DOI: 10.1039/C4Cp04354E |
0.315 |
|
| 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. 55: 628-35. PMID 25654496 DOI: 10.1021/Ci500645K |
0.6 |
|
| 2015 |
Sripathi KN, Banáš P, Réblová 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 : Pccp. 17: 5887-900. PMID 25631765 DOI: 10.1039/C4Cp05083E |
0.305 |
|
| 2015 |
Vorlová B, Nachtigallová D, Jirásková-Vaníčková J, Ajani H, Jansa P, Rezáč 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. 89: 189-97. PMID 25462239 DOI: 10.1016/J.Ejmech.2014.10.043 |
0.458 |
|
| 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 C. 119: 20535-20543. DOI: 10.1021/Acs.Jpcc.5B06755 |
0.31 |
|
| 2015 |
Lazar P, Otyepková E, Karlický F, Čépe K, Otyepka M. The surface and structural properties of graphite fluoride Carbon. 94: 804-809. DOI: 10.1016/J.Carbon.2015.07.064 |
0.311 |
|
| 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. 25: 1481-1487. DOI: 10.1002/Adfm.201403801 |
0.304 |
|
| 2014 |
Paloncýová M, Fabre G, DeVane RH, Trouillas P, Berka K, Otyepka M. Benchmarking of Force Fields for Molecule-Membrane Interactions. Journal of Chemical Theory and Computation. 10: 4143-51. PMID 26588554 DOI: 10.1021/Ct500419B |
0.617 |
|
| 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. 10: 3177-89. PMID 26588288 DOI: 10.1021/Ct500120V |
0.303 |
|
| 2014 |
Mlýnský V, Banáš P, Šponer J, van der Kamp MW, Mulholland AJ, 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. 10: 1608-22. PMID 26580373 DOI: 10.1021/Ct401015E |
0.317 |
|
| 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. 10: 463-80. PMID 26579924 DOI: 10.1021/Ct400837P |
0.32 |
|
| 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. The Journal of Physical Chemistry Letters. 5: 1771-82. PMID 26270382 DOI: 10.1021/Jz500557Y |
0.31 |
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| 2014 |
Pravda L, Berka K, Svobodová Va?eková R, Sehnal D, Banáš P, Laskowski RA, Ko?a J, Otyepka M. Anatomy of enzyme channels. Bmc Bioinformatics. 15: 379. PMID 25403510 DOI: 10.1186/S12859-014-0379-X |
0.588 |
|
| 2014 |
Paloncýová M, DeVane RH, Murch BP, Berka K, Otyepka M. Rationalization of reduced penetration of drugs through ceramide gel phase membrane. Langmuir : the Acs Journal of Surfaces and Colloids. 30: 13942-8. PMID 25354090 DOI: 10.1021/La503289V |
0.627 |
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| 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 : Pccp. 16: 20915-23. PMID 25170978 DOI: 10.1039/C4Cp02093F |
0.479 |
|
| 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 : Pccp. 16: 20818-27. PMID 25166887 DOI: 10.1039/C4Cp02608J |
0.509 |
|
| 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 : Pccp. 16: 14231-5. PMID 24912566 DOI: 10.1039/C4Cp01638F |
0.303 |
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| 2014 |
Sripathi KN, Tay WW, Banáš P, Otyepka M, Šponer J, Walter NG. Disparate HDV ribozyme crystal structures represent intermediates on a rugged free-energy landscape. Rna (New York, N.Y.). 20: 1112-28. PMID 24854621 DOI: 10.1261/Rna.044982.114 |
0.303 |
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| 2014 |
Paloncýová M, DeVane R, Murch B, Berka K, Otyepka M. Amphiphilic drug-like molecules accumulate in a membrane below the head group region. The Journal of Physical Chemistry. B. 118: 1030-9. PMID 24417480 DOI: 10.1021/Jp4112052 |
0.638 |
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| 2014 |
Berka K, Paloncýová M, Anzenbacher P, Otyepka M. Membrane-bound human cytochrome P450 family: commonalities and differences F1000research. 5. DOI: 10.7490/F1000Research.1095644.1 |
0.57 |
|
| 2014 |
Hola K, Bourlinos AB, Kozak O, Berka K, Siskova KM, Havrdova M, Tucek J, Safarova K, Otyepka M, Giannelis EP, Zboril R. Photoluminescence effects of graphitic core size and surface functional groups in carbon dots: COO- induced red-shift emission Carbon. 70: 279-286. DOI: 10.1016/J.Carbon.2014.01.008 |
0.568 |
|
| 2013 |
Dubecký M, Jurečka P, Derian R, Hobza P, Otyepka M, Mitas L. Quantum Monte Carlo Methods Describe Noncovalent Interactions with Subchemical Accuracy. Journal of Chemical Theory and Computation. 9: 4287-92. PMID 26589147 DOI: 10.1021/Ct4006739 |
0.466 |
|
| 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. 9: 1461-8. PMID 26587608 DOI: 10.1021/Ct400016C |
0.457 |
|
| 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. 9: 2115-25. PMID 26583558 DOI: 10.1021/Ct301086Z |
0.306 |
|
| 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. 79: 1698-704. PMID 24288292 DOI: 10.1055/S-0033-1351098 |
0.58 |
|
| 2013 |
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. 8: e74518. PMID 24058582 DOI: 10.1371/Journal.Pone.0074518 |
0.338 |
|
| 2013 |
Berka K, Paloncýová M, Anzenbacher P, Otyepka M. Behavior of human cytochromes P450 on lipid membranes. The Journal of Physical Chemistry. B. 117: 11556-64. PMID 23987570 DOI: 10.1021/Jp4059559 |
0.624 |
|
| 2013 |
Sehnal D, Svobodová Vařeková R, Berka K, Pravda L, Navrátilová V, Banáš P, Ionescu CM, Otyepka M, Koča J. MOLE 2.0: advanced approach for analysis of biomacromolecular channels. Journal of Cheminformatics. 5: 39. PMID 23953065 DOI: 10.1186/1758-2946-5-39 |
0.595 |
|
| 2013 |
Karlický F, Kumara Ramanatha Datta K, Otyepka M, Zbořil R. Halogenated graphenes: rapidly growing family of graphene derivatives. Acs Nano. 7: 6434-64. PMID 23808482 DOI: 10.1021/Nn4024027 |
0.302 |
|
| 2013 |
Sponer J, Sponer 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. 99: 978-88. PMID 23784745 DOI: 10.1002/Bip.22322 |
0.344 |
|
| 2013 |
Mládek A, Krepl M, Svozil D, Cech P, Otyepka M, Banáš P, Zgarbová M, Jurečka P, Sponer 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 : Pccp. 15: 7295-310. PMID 23575975 DOI: 10.1039/C3Cp44383C |
0.318 |
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| 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. 135: 6372-7. PMID 23570612 DOI: 10.1021/Ja403162R |
0.323 |
|
| 2013 |
Podloucká P, Berka K, Fabre G, Paloncýová M, Duroux JL, Otyepka M, Trouillas P. Lipid bilayer membrane affinity rationalizes inhibition of lipid peroxidation by a natural lignan antioxidant. The Journal of Physical Chemistry. B. 117: 5043-9. PMID 23560800 DOI: 10.1021/Jp3127829 |
0.596 |
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| 2013 |
Paloncýová M, Berka K, Otyepka M. Molecular insight into affinities of drugs and their metabolites to lipid bilayers. The Journal of Physical Chemistry. B. 117: 2403-10. PMID 23387302 DOI: 10.1021/Jp311802X |
0.608 |
|
| 2013 |
Krepl M, Otyepka M, Banáš P, Šponer J. Effect of guanine to inosine substitution on stability of canonical DNA and RNA duplexes: molecular dynamics thermodynamics integration study. The Journal of Physical Chemistry. B. 117: 1872-9. PMID 23350675 DOI: 10.1021/Jp311180U |
0.322 |
|
| 2013 |
Lazar P, Zhang S, Safá?ová K, Li Q, Froning JP, Granatier J, Hobza P, Zbo?il 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. 7: 1646-51. PMID 23346897 DOI: 10.1021/Nn305608A |
0.488 |
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| 2013 |
Jurečka P, Zgarbová M, Luque FJ, Šponer J, Otyepka M. 106 Deriving force field dihedral angle parameters that account for conformation-dependent solvation effects Journal of Biomolecular Structure and Dynamics. 31: 67-67. DOI: 10.1080/07391102.2013.786348 |
0.311 |
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| 2013 |
Pykal M, Šafářová K, Šišková KM, Jurečka P, Bourlinos AB, Zbořil R, Otyepka M. Lipid Enhanced Exfoliation for Production of Graphene Nanosheets Journal of Physical Chemistry C. 117: 11800-11803. DOI: 10.1021/Jp401277G |
0.32 |
|
| 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. 8: 2448-60. PMID 26588974 DOI: 10.1021/Ct3001238 |
0.317 |
|
| 2012 |
Šponer J, Mládek A, Šponer 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 : Pccp. 14: 15257-77. PMID 23072945 DOI: 10.1039/C2Cp41987D |
0.325 |
|
| 2012 |
Georgakilas V, Otyepka M, Bourlinos AB, Chandra V, Kim N, Kemp KC, Hobza P, Zboril R, Kim KS. Functionalization of graphene: covalent and non-covalent approaches, derivatives and applications. Chemical Reviews. 112: 6156-214. PMID 23009634 DOI: 10.1021/Cr3000412 |
0.435 |
|
| 2012 |
Banáš P, Sklenovský P, Wedekind JE, Šponer J, Otyepka M. Molecular mechanism of preQ1 riboswitch action: a molecular dynamics study. The Journal of Physical Chemistry. B. 116: 12721-34. PMID 22998634 DOI: 10.1021/Jp309230V |
0.319 |
|
| 2012 |
Karlický F, Zbořil R, Otyepka M. Band gaps and structural properties of graphene halides and their derivates: a hybrid functional study with localized orbital basis sets. The Journal of Chemical Physics. 137: 034709. PMID 22830726 DOI: 10.1063/1.4736998 |
0.307 |
|
| 2012 |
Berka K, Hanák O, Sehnal D, Banáš P, Navrátilová V, Jaiswal D, Ionescu CM, Svobodová Vařeková R, Koča J, Otyepka M. MOLEonline 2.0: Interactive web-based analysis of biomacromolecular channels Nucleic Acids Research. 40. PMID 22553366 DOI: 10.1093/Nar/Gks363 |
0.59 |
|
| 2012 |
Paloncýová M, Berka K, Otyepka M. Convergence of Free Energy Profile of Coumarin in Lipid Bilayer. Journal of Chemical Theory and Computation. 8: 1200-1211. PMID 22545027 DOI: 10.1021/Ct2009208 |
0.623 |
|
| 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. 110: 46-50. PMID 22459173 DOI: 10.1016/J.Jinorgbio.2012.02.010 |
0.612 |
|
| 2012 |
Hendrychova T, Berka K, Navratilova V, Anzenbacher P, Otyepka M. Dynamics and hydration of the active sites of mammalian cytochromes P450 probed by molecular dynamics simulations. Current Drug Metabolism. 13: 177-89. PMID 22208532 DOI: 10.2174/138920012798918408 |
0.61 |
|
| 2012 |
Otyepka M, Berka K, Anzenbacher P. Is there a relationship between the substrate preferences and structural flexibility of cytochromes P450? Current Drug Metabolism. 13: 130-42. PMID 22208528 DOI: 10.2174/138920012798918372 |
0.604 |
|
| 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. The Journal of Physical Chemistry. B. 116: 1309-18. PMID 22201287 DOI: 10.1021/Jp208731G |
0.611 |
|
| 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 C. 116: 14151-14162. DOI: 10.1021/Jp3030733 |
0.462 |
|
| 2012 |
Sripathi K, Banáš P, Tay W, Šponer J, Otyepka M, Walter NG. Structure-Function Relationships Within the Hepatitis Delta Virus Ribozyme Biophysical Journal. 102: 277a. DOI: 10.1016/J.Bpj.2011.11.1530 |
0.322 |
|
| 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. 7: 2963-80. PMID 26605485 DOI: 10.1021/Ct200204T |
0.321 |
|
| 2011 |
Granatier J, Lazar P, Otyepka M, Hobza P. The Nature of the Binding of Au, Ag, and Pd to Benzene, Coronene, and Graphene: From Benchmark CCSD(T) Calculations to Plane-Wave DFT Calculations. Journal of Chemical Theory and Computation. 7: 3743-3755. PMID 22076121 DOI: 10.1021/Ct200625H |
0.476 |
|
| 2011 |
Zgarbová M, Jurečka P, Banáš P, Otyepka M, Sponer JE, Leontis NB, Zirbel CL, Sponer 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. The Journal of Physical Chemistry. A. 115: 11277-92. PMID 21910417 DOI: 10.1021/Jp204820B |
0.334 |
|
| 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. The Journal of Physical Chemistry. A. 115: 11248-55. PMID 21744854 DOI: 10.1021/Jp204488J |
0.629 |
|
| 2011 |
Dobes P, Rezác J, Fanfrlík J, Otyepka M, Hobza P. Semiempirical quantum mechanical method PM6-DH2X describes the geometry and energetics of CK2-inhibitor complexes involving halogen bonds well, while the empirical potential fails. The Journal of Physical Chemistry. B. 115: 8581-9. PMID 21648479 DOI: 10.1021/Jp202149Z |
0.462 |
|
| 2011 |
Dobeš P, Fanfrlík J, Rezáč 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. 25: 223-35. PMID 21286784 DOI: 10.1007/S10822-011-9413-5 |
0.484 |
|
| 2011 |
Berka K, Otyepka M. Insenstivity to close contacts and inability to predict protein foldability. Journal of Biomolecular Structure & Dynamics. 28: 633-4; discussion 66. PMID 21142241 DOI: 10.1080/073911011010524969 |
0.56 |
|
| 2011 |
Sripathi K, Banáš P, Šponer J, Otyepka M, Walter N. Structural Landmarks of the Hepatitis Delta Virus (HDV) Ribozyme Biophysical Journal. 100: 236a. DOI: 10.1016/J.Bpj.2010.12.1504 |
0.314 |
|
| 2010 |
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. 1814: 58-68. PMID 20656072 DOI: 10.1016/J.Bbapap.2010.07.017 |
0.332 |
|
| 2010 |
Zgarbová M, Otyepka M, Sponer J, Hobza P, Jurecka P. Large-scale compensation of errors in pairwise-additive empirical force fields: comparison of AMBER intermolecular terms with rigorous DFT-SAPT calculations. Physical Chemistry Chemical Physics : Pccp. 12: 10476-93. PMID 20603660 DOI: 10.1039/C002656E |
0.468 |
|
| 2010 |
Banás P, Walter NG, Sponer J, Otyepka M. Protonation states of the key active site residues and structural dynamics of the glmS riboswitch as revealed by molecular dynamics. The Journal of Physical Chemistry. B. 114: 8701-12. PMID 20536206 DOI: 10.1021/Jp9109699 |
0.322 |
|
| 2010 |
Mlýnský V, Banás P, Hollas D, Réblová K, Walter NG, Sponer J, Otyepka M. Extensive molecular dynamics simulations showing that canonical G8 and protonated A38H+ forms are most consistent with crystal structures of hairpin ribozyme. The Journal of Physical Chemistry. B. 114: 6642-52. PMID 20420375 DOI: 10.1021/Jp1001258 |
0.324 |
|
| 2010 |
Sponer JE, Vázquez-Mayagoitia A, Sumpter BG, Leszczynski J, Sponer J, Otyepka M, Banás P, Fuentes-Cabrera M. Theoretical studies on the intermolecular interactions of potentially primordial base-pair analogues. Chemistry (Weinheim An Der Bergstrasse, Germany). 16: 3057-65. PMID 20119984 DOI: 10.1002/Chem.200902068 |
0.316 |
|
| 2010 |
Dvořáková-Holá K, Matušková A, Kubala M, Otyepka M, Kučera T, Večeř J, Heřman P, Parkhomenko N, Kutejova E, Janata J. Glycine-Rich Loop of Mitochondrial Processing Peptidase α-Subunit Is Responsible for Substrate Recognition by a Mechanism Analogous to Mitochondrial Receptor Tom20 Journal of Molecular Biology. 396: 1197-1210. PMID 20053354 DOI: 10.1016/J.Jmb.2009.12.054 |
0.305 |
|
| 2010 |
Ditzler MA, Otyepka M, Sponer J, Walter NG. Molecular dynamics and quantum mechanics of RNA: conformational and chemical change we can believe in. Accounts of Chemical Research. 43: 40-7. PMID 19754142 DOI: 10.1021/Ar900093G |
0.349 |
|
| 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. 6: 3817-3835. DOI: 10.1021/Ct1004593 |
0.307 |
|
| 2008 |
Banás P, Rulísek L, Hánosová V, Svozil D, Walter NG, Sponer 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. The Journal of Physical Chemistry. B. 112: 11177-87. PMID 18686993 DOI: 10.1021/Jp802592Z |
0.311 |
|
| 2008 |
Skopalík J, Anzenbacher P, Otyepka M. Flexibility of human cytochromes P450: molecular dynamics reveals differences between CYPs 3A4, 2C9, and 2A6, which correlate with their substrate preferences. The Journal of Physical Chemistry. B. 112: 8165-73. PMID 18598011 DOI: 10.1021/Jp800311C |
0.314 |
|
| 2008 |
Otyepka M, Banás P, Magistrato A, Carloni P, Damborský J. Second step of hydrolytic dehalogenation in haloalkane dehalogenase investigated by QM/MM methods. Proteins. 70: 707-17. PMID 17729274 DOI: 10.1002/Prot.21523 |
0.304 |
|
| 2007 |
Kubar T, Jurecka P, Cerný J, Rezac J, Otyepka M, Valdés H, Hobza P. Density-functional, density-functional tight-binding, and wave function calculations on biomolecular systems. The Journal of Physical Chemistry. A. 111: 5642-7. PMID 17411021 DOI: 10.1021/Jp068858J |
0.481 |
|
| 2007 |
Dobes P, Otyepka M, Strnad M, Hobza P. Interaction energies for the purine inhibitor roscovitine with cyclin-dependent kinase 2: correlated ab initio quantum-chemical, DFT and empirical calculations. Chemistry (Weinheim An Der Bergstrasse, Germany). 12: 4297-304. PMID 16575928 DOI: 10.1002/Chem.200501269 |
0.486 |
|
| 2007 |
Otyepka M, Sklenovský P, Horinek D, Kubar T, Hobza P. How the stabilization of INK4 tumor suppressor 3D structure evaluated by quantum chemical and molecular mechanics calculations corresponds well with experimental results: interplay of association enthalpy, entropy, and solvation effects. The Journal of Physical Chemistry. B. 110: 4423-9. PMID 16509744 DOI: 10.1021/Jp056890S |
0.476 |
|
| 2006 |
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. 1770: 376-89. PMID 17069978 DOI: 10.1016/J.Bbagen.2006.09.013 |
0.332 |
|
| 2006 |
Banás P, Otyepka M, Jerábek P, Petrek 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. 20: 375-83. PMID 17016745 DOI: 10.1007/S10822-006-9071-1 |
0.302 |
|
| 2004 |
Oakley AJ, Klvana M, Otyepka M, Nagata Y, Wilce MC, Damborský J. Crystal structure of haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26 at 0.95 A resolution: dynamics of catalytic residues. Biochemistry. 43: 870-8. PMID 14744129 DOI: 10.1021/Bi034748G |
0.302 |
|
| 2003 |
Otyepka M, Kríz Z, Koca J. Dynamics and binding modes of free cdk2 and its two complexes with inhibitors studied by computer simulations. Journal of Biomolecular Structure & Dynamics. 20: 141-54. PMID 12354066 DOI: 10.1080/07391102.2002.10506830 |
0.302 |
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