Molecular dynamics simulation of proton transport with quantum mechanically derived proton hopping rates (Q-HOP MD)

Molecular dynamics simulation of proton transport with quantum mechanically derived proton hopping rates (Q-HOP MD)

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http://www.wikidata.org/entity/Q57814837
The mechanism of proton translocation in respiratory complex I from molecular dynamics.Proton shuttle in green fluorescent protein studied by dynamic simulations.Efflux pump-mediated antibiotics resistance: insights from computational structural biology.A polarizable reactive force field for water to enable molecular dynamics simulations of proton transport.Cloning and characterization of a thermostable and halo-tolerant endoglucanase from Thermoanaerobacter tengcongensis MB4.Development of constant-pH simulation methods in implicit solvent and applications in biomolecular systems.Free-energy analyses of a proton transfer reaction by simulated-tempering umbrella sampling and first-principles molecular dynamics simulations.Water Dynamics and Proton-Transport Mechanisms of Nafion 117/Phosphotungstic Acid Composite Membrane: A Molecular Dynamics Study.Spiers Memorial Lecture. Ions at aqueous interfaces.An analysis of hydrated proton diffusion in ab initio molecular dynamics.Mechanistic details for anthraniloyl transfer in PqsD: the initial step in HHQ biosynthesis.Three ways in, one way out: water dynamics in the trans-membrane domains of the inner membrane translocase AcrBExplicit proton transfer in classical molecular dynamics simulationsDesign of a Gated Molecular Proton ChannelReaction rates for proton transfer over small barriers and connection to transition state theory
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Molecular dynamics simulation of proton transport with quantum mechanically derived proton hopping rates (Q-HOP MD)

Item
http://www.wikidata.org/entity/Q57814837
description
article
@en
im November 2001 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована в листопаді 2001
@uk
name
Molecular dynamics simulation ...... roton hopping rates (Q-HOP MD)
@en
Molecular dynamics simulation ...... y derived proton hopping rates
@nl
type
label
Molecular dynamics simulation ...... roton hopping rates (Q-HOP MD)
@en
Molecular dynamics simulation ...... y derived proton hopping rates
@nl
prefLabel
Molecular dynamics simulation ...... roton hopping rates (Q-HOP MD)
@en
Molecular dynamics simulation ...... y derived proton hopping rates
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P356
P1433
P1476
Molecular dynamics simulation ...... roton hopping rates (Q-HOP MD)
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577