about
Anatomy of enzyme channelsMembrane position of ibuprofen agrees with suggested access path entrance to cytochrome P450 2C9 active siteAssessing the Current State of Amber Force Field Modifications for DNAA computational study of the glycine-rich loop of mitochondrial processing peptidaseThe Role of Protein-Protein and Protein-Membrane Interactions on P450 FunctionCrystal structure of haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26 at 0.95 A resolution: dynamics of catalytic residuesMOLE 2.0: advanced approach for analysis of biomacromolecular channelsMicrosecond-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.Exploring the Dynamics of Propeller Loops in Human Telomeric DNA Quadruplexes Using Atomistic Simulations.Disparate HDV ribozyme crystal structures represent intermediates on a rugged free-energy landscape.Graphene fluoride: a stable stoichiometric graphene derivative and its chemical conversion to grapheneThe role of an active site Mg(2+) in HDV ribozyme self-cleavage: insights from QM/MM calculations.Redesigning dehalogenase access tunnels as a strategy for degrading an anthropogenic substrate.Random Phase Approximation in Surface Chemistry: Water Splitting on Iron.MOLEonline 2.0: interactive web-based analysis of biomacromolecular channelsFolding of guanine quadruplex molecules-funnel-like mechanism or kinetic partitioning? An overview from MD simulation studies.Functional flexibility of human cyclin-dependent kinase-2 and its evolutionary conservation.Reference simulations of noncanonical nucleic acids with different χ variants of the AMBER force field: quadruplex DNA, quadruplex RNA and Z-DNA.The mechanism of inhibition of the cyclin-dependent kinase-2 as revealed by the molecular dynamics study on the complex CDK2 with the peptide substrate HHASPRKActivation and inhibition of cyclin-dependent kinase-2 by phosphorylation; a molecular dynamics study reveals the functional importance of the glycine-rich loop.What common structural features and variations of mammalian P450s are known to date?Functionally relevant motions of haloalkane dehalogenases occur in the specificity-modulating cap domainsHairpins participating in folding of human telomeric sequence quadruplexes studied by standard and T-REMD simulations.Theoretical studies of RNA catalysis: hybrid QM/MM methods and their comparison with MD and QM.Is there a relationship between the substrate preferences and structural flexibility of cytochromes P450?The DNA and RNA sugar-phosphate backbone emerges as the key player. An overview of quantum-chemical, structural biology and simulation studies.How to understand quantum chemical computations on DNA and RNA systems? A practical guide for non-specialists.Halogenated graphenes: rapidly growing family of graphene derivatives.Density-functional, density-functional tight-binding, and wave function calculations on biomolecular systems.ATP and magnesium drive conformational changes of the Na+/K+-ATPase cytoplasmic headpiece.Refinement of the Cornell et al. Nucleic Acids Force Field Based on Reference Quantum Chemical Calculations of Glycosidic Torsion Profiles.Stabilizing and Modulating Color by Copigmentation: Insights from Theory and Experiment.Influence of BII Backbone Substates on DNA Twist: A Unified View and Comparison of Simulation and Experiment for All 136 Distinct Tetranucleotide Sequences.Interaction of the Helium, Hydrogen, Air, Argon, and Nitrogen Bubbles with Graphite Surface in Water.In silico pharmacology: Drug membrane partitioning and crossing.Multidrug resistance-associated protein 4 (MRP4) controls ganciclovir intracellular accumulation and contributes to ganciclovir-induced neutropenia in renal transplant patients.The Nature of the Binding of Au, Ag, and Pd to Benzene, Coronene, and Graphene: From Benchmark CCSD(T) Calculations to Plane-Wave DFT CalculationsAdsorption of Organic Molecules to van der Waals Materials: Comparison of Fluorographene and Fluorographite with Graphene and Graphite.How to understand atomistic molecular dynamics simulations of RNA and protein-RNA complexes?Direct mapping of chemical oxidation of individual graphene sheets through dynamic force measurements at the nanoscale
P50
Q21146741-0052CF85-4EB4-4A38-A9D5-1BF53087E868Q24609983-F20AAFA8-D710-4A63-AD8D-BD86C1FBC746Q27301352-83E528E6-F1E0-442F-9E99-ADF5804DC62EQ27306794-2B1B4DB2-FFB9-4FB6-87D9-C9FAC9068DEDQ27345454-62353483-014F-4C73-B3BB-F5A503142AF3Q27643029-2F2FE30D-AE2F-4856-BDE6-FB262D7261BCQ27703086-2EF9432E-E13D-4EB8-BF8C-1496445D6AA3Q31019657-83439525-85D6-4FA0-8976-692F42B4A49EQ33912756-EC315A0E-D1E1-4D15-9CAD-A305BF5529D5Q33967967-A6DCF756-661D-4CCE-8774-FF1B49820F53Q34625371-758A64EB-862C-47D0-A48B-3BCA37F68AFAQ34633103-3E7298CF-99BC-485C-AE7E-3D4FC7A0B148Q34999009-D108D829-252E-400F-873F-84DD3B543FEEQ35846174-4117C159-787E-4014-8AB4-55C4D06AA8F0Q36088495-B5857973-1C9F-407D-BA57-BAFB97CD2993Q36225809-CD274F6A-8625-40B7-90D7-68E8190D7BB4Q36281964-C85A4F56-3E8A-4638-9348-07C6AAA2B80BQ36422866-A135C2E3-E4C6-4040-8A84-D7CA219F632EQ36476902-AA8906C5-5CC0-4C80-93B0-3E8898C4D055Q36519405-32375235-89A7-42CA-B2A5-7C60BBF987DCQ36636833-D2B07DC3-E44D-41E2-999C-6127B83A4366Q36639249-844DE627-31E0-4CE3-92ED-DCCEC97138CBQ36676471-DECCD7DB-B8A2-4F62-B91C-D68E531FED91Q37366654-A3D990A1-6D3A-48F7-922F-ACEDAACF3177Q37972328-36F8D89F-3908-4F7F-B958-AC2A524CDE39Q38052698-641D3F5E-4021-495D-890C-8E3EDFC6DDF0Q38112952-CD2205FE-3513-4EB4-ABF6-4AF51C76B5C0Q38117631-B7AAE871-4D1E-4C20-BCC2-B0CF589D1460Q38302996-E14D3BD5-7B7F-4763-B331-5C32D62102B7Q38356444-B1899371-9563-4750-B070-E4673D8BAFF2Q38389887-CCF55656-38BB-4828-BDDB-413B3708C4E2Q38767157-61243675-429C-4527-BA0F-435B4A56FC7DQ38774124-2829147B-2C2A-42CF-BC37-822075E2FAA0Q38802621-B97A0660-E9B5-4993-BB6F-DA130EA6BE19Q38886124-CFDF0CE8-18A5-47A1-BE49-397395D19331Q38893247-A4851EC5-5728-431D-A8BD-CE09592C8A2AQ38979735-82E77B7C-03AA-4EE2-8C22-DE3E3968903BQ38987309-29AF39D0-E90E-4E06-B90E-3F53992C1F1EQ39013212-FD471E41-7F38-4220-877A-DB0C4F0BC40EQ39296570-477A020F-9212-4F15-905C-620083DB3E92
P50
description
hulumtues
@sq
researcher
@en
ricercatore
@it
wetenschapper
@nl
հետազոտող
@hy
name
Michal Otyepka
@ast
Michal Otyepka
@en
Michal Otyepka
@es
Michal Otyepka
@nl
Michal Otyepka
@sl
type
label
Michal Otyepka
@ast
Michal Otyepka
@en
Michal Otyepka
@es
Michal Otyepka
@nl
Michal Otyepka
@sl
prefLabel
Michal Otyepka
@ast
Michal Otyepka
@en
Michal Otyepka
@es
Michal Otyepka
@nl
Michal Otyepka
@sl
P1053
D-1220-2017
P106
P1153
6602791314
P19
P1960
3zoF7V4AAAAJ
P21
P214
22146030485335860594
P2456
P31
P3829
P496
0000-0002-1066-5677
P569
1975-01-01T00:00:00Z
P691
mzk2004257598
P7859
viaf-22146030485335860594