Studies of proton translocations in biological systems: simulating proton transport in carbonic anhydrase by EVB-based models
about
Simulating the function of sodium/proton antiportersRole of Hydrophilic Residues in Proton Transfer during Catalysis by Human Carbonic Anhydrase II † ‡Kinetic and crystallographic studies of the role of tyrosine 7 in the active site of human carbonic anhydrase IIAt the dawn of the 21st century: Is dynamics the missing link for understanding enzyme catalysis?Exploring pathways and barriers for coupled ET/PT in cytochrome c oxidase: a general framework for examining energetics and mechanistic alternatives.Computer simulations of protein functions: searching for the molecular origin of the replication fidelity of DNA polymerasesMonte Carlo simulations of proton pumps: on the working principles of the biological valve that controls proton pumping in cytochrome c oxidase.Simulating the electrostatic guidance of the vectorial translocations in hexameric helicases and translocases.Dynamic mechanism of proton transfer in mannitol 2-dehydrogenase from Pseudomonas fluorescens: mobile GLU292 controls proton relay through a water channel that connects the active site with bulk solvent.Coupling Protein Dynamics with Proton Transport in Human Carbonic Anhydrase II.NMR studies of active-site properties of human carbonic anhydrase II by using (15) N-labeled 4-methylimidazole as a local probe and histidine hydrogen-bond correlations.Proton transport in carbonic anhydrase: Insights from molecular simulation.Intrinsic proton-donating power of zinc-bound water in a carbonic anhydrase active site model estimated by NMR.Chemical rescue of enzymes: proton transfer in mutants of human carbonic anhydrase II.Multiscale modeling of biological functions.Prechemistry versus preorganization in DNA replication fidelity.Location of binding sites in small molecule rescue of human carbonic anhydrase II.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.Toward theoretical analysis of long-range proton transfer kinetics in biomolecular pumps.Why nature really chose phosphate.The energetics of the primary proton transfer in bacteriorhodopsin revisited: it is a sequential light-induced charge separation after allThe EVB as a quantitative tool for formulating simulations and analyzing biological and chemical reactions.Proton shuttles and phosphatase activity in soluble epoxide hydrolase.Introducing titratable water to all-atom molecular dynamics at constant pH.Proton transfer in catalysis and the role of proton shuttles in carbonic anhydrase.A computational study of ultrafast acid dissociation and acid-base neutralization reactions. I. The model.Combining ab initio quantum mechanics with a dipole-field model to describe acid dissociation reactions in water: first-principles free energy and entropy calculations.Free energy for the permeation of Na(+) and Cl(-) ions and their ion-pair through a zwitterionic dimyristoyl phosphatidylcholine lipid bilayer by umbrella integration with harmonic fourier beads.Simulating redox coupled proton transfer in cytochrome c oxidase: looking for the proton bottleneck.Simulating electrostatic energies in proteins: perspectives and some recent studies of pKas, redox, and other crucial functional properties.Reliable treatment of electrostatics in combined QM/MM simulation of macromolecules.Wide-dynamic-range kinetic investigations of deep proton tunnelling in proteins.Kinetics of proton pumping in cytochrome c oxidase.The empirical valence bond model: theory and applications
P2860
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P2860
Studies of proton translocations in biological systems: simulating proton transport in carbonic anhydrase by EVB-based models
description
2004 nî lūn-bûn
@nan
2004 թուականի Հոկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2004 թվականի հոտեմբերին հրատարակված գիտական հոդված
@hy
2004年の論文
@ja
2004年論文
@yue
2004年論文
@zh-hant
2004年論文
@zh-hk
2004年論文
@zh-mo
2004年論文
@zh-tw
2004年论文
@wuu
name
Studies of proton translocatio ...... anhydrase by EVB-based models
@ast
Studies of proton translocatio ...... anhydrase by EVB-based models
@en
Studies of proton translocatio ...... anhydrase by EVB-based models
@nl
type
label
Studies of proton translocatio ...... anhydrase by EVB-based models
@ast
Studies of proton translocatio ...... anhydrase by EVB-based models
@en
Studies of proton translocatio ...... anhydrase by EVB-based models
@nl
prefLabel
Studies of proton translocatio ...... anhydrase by EVB-based models
@ast
Studies of proton translocatio ...... anhydrase by EVB-based models
@en
Studies of proton translocatio ...... anhydrase by EVB-based models
@nl
P2860
P1433
P1476
Studies of proton translocatio ...... anhydrase by EVB-based models
@en
P2093
Marek Strajbl
Sonja Braun-Sand
P2860
P304
P356
10.1529/BIOPHYSJ.104.043257
P407
P577
2004-10-01T00:00:00Z