pH-replica exchange molecular dynamics in proteins using a discrete protonation method.
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A Virtual Mixture Approach to the Study of Multistate Equilibrium: Application to Constant pH Simulation in Explicit WaterMimicking titration experiments with MD simulations: A protocol for the investigation of pH-dependent effects on proteinsConstant pH Molecular Dynamics in Explicit Solvent with Enveloping Distribution Sampling and Hamiltonian ExchangeRecent development and application of constant pH molecular dynamicsResidue-level resolution of alphavirus envelope protein interactions in pH-dependent fusion.Constant pH molecular dynamics of proteins in explicit solvent with proton tautomerism.Constant-pH Hybrid Nonequilibrium Molecular Dynamics-Monte Carlo Simulation Method.Characterization of the three-dimensional free energy manifold for the uracil ribonucleoside from asynchronous replica exchange simulations.pH-dependent dynamics of complex RNA macromoleculespKa determination of histidine residues in α-conotoxin MII peptides by 1H NMR and constant pH molecular dynamics simulationEfficient implementation of constant pH molecular dynamics on modern graphics processors.Development of constant-pH simulation methods in implicit solvent and applications in biomolecular systems.Constant-pH Molecular Dynamics Simulations for Large Biomolecular Systems.
P2860
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P2860
pH-replica exchange molecular dynamics in proteins using a discrete protonation method.
description
article científic
@ca
article scientifique
@fr
articolo scientifico
@it
artigo científico
@pt
bilimsel makale
@tr
scientific article published on 17 July 2012
@en
vedecký článok
@sk
vetenskaplig artikel
@sv
videnskabelig artikel
@da
vědecký článek
@cs
name
pH-replica exchange molecular dynamics in proteins using a discrete protonation method.
@en
pH-replica exchange molecular dynamics in proteins using a discrete protonation method.
@nl
type
label
pH-replica exchange molecular dynamics in proteins using a discrete protonation method.
@en
pH-replica exchange molecular dynamics in proteins using a discrete protonation method.
@nl
prefLabel
pH-replica exchange molecular dynamics in proteins using a discrete protonation method.
@en
pH-replica exchange molecular dynamics in proteins using a discrete protonation method.
@nl
P2093
P2860
P356
P1476
pH-replica exchange molecular dynamics in proteins using a discrete protonation method.
@en
P2093
Adrian E Roitberg
Danial Sabri Dashti
Yilin Meng
P2860
P304
P356
10.1021/JP303385X
P407
P577
2012-07-17T00:00:00Z