about
The Origin of Coupled Chloride and Proton Transport in a Cl(-)/H(+) AntiporterMultiscale simulations reveal key features of the proton-pumping mechanism in cytochrome c oxidaseSimulating Protein Mediated Hydrolysis of ATP and Other Nucleoside Triphosphates by Combining QM/MM Molecular Dynamics with Advances in Metadynamics.Multiscale Reactive Molecular Dynamics for Absolute pKa Predictions and Amino Acid Deprotonation.Computationally Efficient Multiconfigurational Reactive Molecular Dynamics.SIMS: a hybrid method for rapid conformational analysis.Hydrated Excess Protons Can Create Their Own Water Wires.Computationally Efficient Multiscale Reactive Molecular Dynamics to Describe Amino Acid Deprotonation in Proteins.Multiscale Simulations Reveal Key Aspects of the Proton Transport Mechanism in the ClC-ec1 Antiporter.Acid activation mechanism of the influenza A M2 proton channel.Reactive molecular dynamics models from ab initio molecular dynamics data using relative entropy minimization.Exploring the behaviour of the hydrated excess proton at hydrophobic interfaces.Understanding the essential proton-pumping kinetic gates and decoupling mutations in cytochrome c oxidase.Development of reactive force fields using ab initio molecular dynamics simulation minimally biased to experimental data.An analysis of hydrated proton diffusion in ab initio molecular dynamics.Characterizing the local solvation environment of OH(-) in water clusters with AIMD.Influence of isotropic and biaxial strain on proton conduction in Y-doped BaZrO3: a reactive molecular dynamics study
P2860
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P2860
description
2012 nî lūn-bûn
@nan
2012年の論文
@ja
2012年論文
@yue
2012年論文
@zh-hant
2012年論文
@zh-hk
2012年論文
@zh-mo
2012年論文
@zh-tw
2012年论文
@wuu
2012年论文
@zh
2012年论文
@zh-cn
name
Multiscale reactive molecular dynamics
@ast
Multiscale reactive molecular dynamics
@en
type
label
Multiscale reactive molecular dynamics
@ast
Multiscale reactive molecular dynamics
@en
prefLabel
Multiscale reactive molecular dynamics
@ast
Multiscale reactive molecular dynamics
@en
P2860
P356
P1476
Multiscale reactive molecular dynamics
@en
P2093
Chris Knight
Gerrick E Lindberg
P2860
P304
P356
10.1063/1.4743958
P407
P577
2012-12-01T00:00:00Z