Toward theoretical analysis of long-range proton transfer kinetics in biomolecular pumps.
about
Microscopic basis for kinetic gating in Cytochrome c oxidase: insights from QM/MM analysis.Cancer biomarker discovery: the entropic hallmark.Coupling Protein Dynamics with Proton Transport in Human Carbonic Anhydrase II.Proton transport in carbonic anhydrase: Insights from molecular simulation.Benchmark Study of the SCC-DFTB Approach for a Biomolecular Proton ChannelMolecular simulation of water and hydration effects in different environments: challenges and developments for DFTB based modelsApplication of the SCC-DFTB method to neutral and protonated water clusters and bulk water.Computationally Efficient Multiscale Reactive Molecular Dynamics to Describe Amino Acid Deprotonation in Proteins.A kinetic, modeling and mechanistic re-analysis of thymidine phosphorylase and some related enzymes.Multiscale Simulations Reveal Key Aspects of the Proton Transport Mechanism in the ClC-ec1 Antiporter.Proton solvation and transport in aqueous and biomolecular systems: insights from computer simulations"Proton holes" in long-range proton transfer reactions in solution and enzymes: A theoretical analysis.Origins of enhanced proton transport in the Y7F mutant of human carbonic anhydrase II.Functional role of Asp160 and the deprotonation mechanism of ammonium in the Escherichia coli ammonia channel protein AmtB.QM/MM free energy simulations: recent progress and challengesElucidation of the proton transport mechanism in human carbonic anhydrase II.Acid activation mechanism of the influenza A M2 proton channel.Proton transport in functionalised additives for PEM fuel cells: contributions from atomistic simulations.Density functional tight binding: values of semi-empirical methods in an ab initio era.Dynamical study, hydrogen bond analysis, and constant pH simulations of the beta carbonic anhydrase of Methanobacterium thermoautotrophicum.Proton shuttles and phosphatase activity in soluble epoxide hydrolase.Proton conductivity of SO3 H-functionalized benzene-periodic mesoporous organosilica.Regulation and Plasticity of Catalysis in Enzymes: Insights from Analysis of Mechanochemical Coupling in Myosin.Behavior of BsoBI endonuclease in the presence and absence of DNA.
P2860
Q30394639-BCE6C955-B0EE-4D80-ACA2-D046C089F969Q30496149-9128C37D-6F6E-4034-A261-62428C596B98Q30804652-360B8E70-A2FC-4750-9C64-4AADA10FF44AQ33636367-E11771AE-D1D5-4F6E-B6B8-5622082F1DBAQ33998186-EAB8520B-DA95-4FB8-867C-4B9628E6F718Q34243164-B2ED0A03-EE79-44A3-A262-D682724697C5Q35003186-167511A3-8CCF-4873-B087-E63263AC9F7CQ36569958-9E06F7E7-8D65-4DA0-ACEE-74D994A75AFFQ36694517-3ACE129E-94D4-4C63-A9B4-FF2CC54970FBQ36753772-19A3BB33-935D-45A8-B6D5-9268F09B0B69Q36789334-9A14F5EA-7616-4407-B63B-23F60AB43628Q36922436-210D227D-78FD-4DC6-B1E2-BEF4105368CAQ36925458-C8AA70C5-2523-4517-B3C3-9EC118E9BE52Q37176624-99D5AC95-EAE7-4155-88AA-7833E83A2BB0Q37194421-274E9461-2E7A-46AF-8684-C0544EBAF126Q37415351-776F931F-3B31-4BA9-91BC-9B8268AB91BCQ37417885-316453CA-1AAA-4A65-BA7B-1ECFC1A593BCQ38010970-7CCF2C49-3B32-4E05-90DC-CF0CD008FCB1Q40354891-483EA2A2-641E-4B91-AD45-03DD1793CAD2Q41072013-32C3927F-D800-4E19-8485-94192E37F576Q42434543-71D22540-A30B-4A94-854E-CB64CA08D58BQ43839149-7AF58D38-6B76-4518-8929-A0742B55F560Q48046709-71ADAFC3-9A7C-4742-9FBB-621631979595Q48372751-6138C08E-4564-4155-B2F0-DCDBED5E188F
P2860
Toward theoretical analysis of long-range proton transfer kinetics in biomolecular pumps.
description
article científic
@ca
article scientifique
@fr
articolo scientifico
@it
artigo científico
@pt
bilimsel makale
@tr
scientific article published on January 2006
@en
vedecký článok
@sk
vetenskaplig artikel
@sv
videnskabelig artikel
@da
vědecký článek
@cs
name
Toward theoretical analysis of long-range proton transfer kinetics in biomolecular pumps.
@en
Toward theoretical analysis of long-range proton transfer kinetics in biomolecular pumps.
@nl
type
label
Toward theoretical analysis of long-range proton transfer kinetics in biomolecular pumps.
@en
Toward theoretical analysis of long-range proton transfer kinetics in biomolecular pumps.
@nl
prefLabel
Toward theoretical analysis of long-range proton transfer kinetics in biomolecular pumps.
@en
Toward theoretical analysis of long-range proton transfer kinetics in biomolecular pumps.
@nl
P2093
P2860
P356
P1476
Toward theoretical analysis of long-range proton transfer kinetics in biomolecular pumps.
@en
P2093
P2860
P304
P356
10.1021/JP052328Q
P407
P577
2006-01-01T00:00:00Z