Thermostat artifacts in replica exchange molecular dynamics simulations.
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Improvement of the treatment of loop structures in the UNRES force field by inclusion of coupling between backbone- and side-chain-local conformational states.Dynamical reweighting: improved estimates of dynamical properties from simulations at multiple temperatures.Error and efficiency of simulated tempering simulations.Equilibrium conformational dynamics in an RNA tetraloop from massively parallel molecular dynamics.Hairpins participating in folding of human telomeric sequence quadruplexes studied by standard and T-REMD simulations.Are Peptides Good Two-State Folders?Error and efficiency of replica exchange molecular dynamics simulations.The Inorganic Side of NGF: Copper(II) and Zinc(II) Affect the NGF Mimicking Signaling of the N-Terminus Peptides Encompassing the Recognition Domain of TrkA Receptor.Synergy between NMR measurements and MD simulations of protein/RNA complexes: application to the RRMs, the most common RNA recognition motifs.Folding and self-assembly of a small heterotetramerEffect of computational methodology on the conformational dynamics of the protein photosensor LOV1 from Chlamydomonas reinhardtii.Validation of Molecular Simulation: An Overview of Issues.Copper, differently from zinc, affects the conformation, oligomerization state and activity of bradykinin.Copper, BDNF and Its N-terminal domain: inorganic features and biological perspectives.Two-dimensional replica exchange approach for peptide-peptide interactions.Classical Molecular Dynamics with Mobile Protons.Conformational sampling of metastable states: Tq-REM as a novel replica exchange method.On the use of a weak-coupling thermostat in replica-exchange molecular dynamics simulations.Velocity scaling for optimizing replica exchange molecular dynamics.Algorithm improvements for molecular dynamics simulationsEnhanced Sampling in Molecular Dynamics Using Metadynamics, Replica-Exchange, and Temperature-Acceleration
P2860
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P2860
Thermostat artifacts in replica exchange molecular dynamics simulations.
description
article científic
@ca
article scientifique
@fr
articolo scientifico
@it
artigo científico
@pt
bilimsel makale
@tr
scientific article published on January 2009
@en
vedecký článok
@sk
vetenskaplig artikel
@sv
videnskabelig artikel
@da
vědecký článek
@cs
name
Thermostat artifacts in replica exchange molecular dynamics simulations.
@en
Thermostat artifacts in replica exchange molecular dynamics simulations.
@nl
type
label
Thermostat artifacts in replica exchange molecular dynamics simulations.
@en
Thermostat artifacts in replica exchange molecular dynamics simulations.
@nl
prefLabel
Thermostat artifacts in replica exchange molecular dynamics simulations.
@en
Thermostat artifacts in replica exchange molecular dynamics simulations.
@nl
P2860
P50
P356
P1476
Thermostat artifacts in replica exchange molecular dynamics simulations.
@en
P2860
P304
P356
10.1021/CT800557H
P577
2009-01-01T00:00:00Z