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The LA loop as an important regulatory element of the HtrA (DegP) protease from Escherichia coli: structural and functional studies.Convergence of folding free energy landscapes via application of enhanced sampling methods in a distributed computing environment.Asynchronous replica exchange for molecular simulationsSimulating replica exchange simulations of protein folding with a kinetic network model.Prediction of SAMPL3 host-guest affinities with the binding energy distribution analysis method (BEDAM).Replica exchanging self-guided Langevin dynamics for efficient and accurate conformational samplingFinding Our Way in the Dark Proteome.Implementation of a Serial Replica Exchange Method in a Physics-Based United-Residue (UNRES) Force Field.Structural insight into RNA hairpin folding intermediatesApplication of Multiplexed Replica Exchange Molecular Dynamics to the UNRES Force Field: Tests with alpha and alpha+beta Proteins.Adaptive single replica multiple state transition interface sampling.Choosing weights for simulated tempering.Foundations and latest advances in replica exchange transition interface sampling.Greedy replica exchange algorithm for heterogeneous computing grids.On easy implementation of a variant of the replica exchange with solute tempering in GROMACS.Peptide folding kinetics from replica exchange molecular dynamics.Comparison of the serial and parallel algorithms of generalized ensemble simulations: an analytical approach.Using collective variables to drive molecular dynamics simulations
P2860
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P2860
description
article científic
@ca
article scientifique
@fr
articolo scientifico
@it
artigo científico
@pt
bilimsel makale
@tr
scientific article published on 24 January 2007
@en
vedecký článok
@sk
vetenskaplig artikel
@sv
videnskabelig artikel
@da
vědecký článek
@cs
name
Serial replica exchange.
@en
Serial replica exchange.
@nl
type
label
Serial replica exchange.
@en
Serial replica exchange.
@nl
prefLabel
Serial replica exchange.
@en
Serial replica exchange.
@nl
P2093
P2860
P356
P1476
Serial replica exchange.
@en
P2093
Byungchan Kim
Morten Hagen
Richard A Friesner
P2860
P304
P356
10.1021/JP064479E
P407
P577
2007-01-24T00:00:00Z