Simple continuous and discrete models for simulating replica exchange simulations of protein folding.
about
Large-scale asynchronous and distributed multidimensional replica exchange molecular simulations and efficiency analysisAsynchronous Replica Exchange Software for Grid and Heterogeneous ComputingLocally weighted histogram analysis and stochastic solution for large-scale multi-state free energy estimation.Rapid equilibrium sampling initiated from nonequilibrium dataConformational populations of ligand-sized molecules by replica exchange molecular dynamics and temperature reweighting.Recovering kinetics from a simplified protein folding model using replica exchange simulations: a kinetic network and effective stochastic dynamics.Conformational Transitions and Convergence of Absolute Binding Free Energy Calculations.Prediction of SAMPL3 host-guest affinities with the binding energy distribution analysis method (BEDAM).MDMS: Molecular Dynamics Meta-Simulator for evaluating exchange type sampling methodsError and efficiency of replica exchange molecular dynamics simulations.Elucidation of the conformational dynamics of multi-body systems by construction of Markov state models.Estimating first-passage time distributions from weighted ensemble simulations and non-Markovian analyses.Simulating Replica Exchange: Markov State Models, Proposal Schemes, and the Infinite Swapping Limit.Dissociation aided and side chain sampling enhanced Hamiltonian replica exchange.Efficacy of independence sampling in replica exchange simulations of ordered and disordered proteins.Elucidating Mechanisms of Molecular Recognition Between Human Argonaute and miRNA Using Computational Approaches.Adaptive partitioning by local density-peaks: An efficient density-based clustering algorithm for analyzing molecular dynamics trajectories.Dynamics of the conformational transitions during the dimerization of an intrinsically disordered peptide: a case study on the human islet amyloid polypeptide fragment.Residue energy and mobility in sequence to global structure and dynamics of a HIV-1 protease (1DIFA) by a coarse-grained Monte Carlo simulation.Replica exchange with guided annealing for accelerated sampling of disordered protein conformations.
P2860
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P2860
Simple continuous and discrete models for simulating replica exchange simulations of protein folding.
description
2008 nî lūn-bûn
@nan
2008 թուականի Փետրուարին հրատարակուած գիտական յօդուած
@hyw
2008 թվականի փետրվարին հրատարակված գիտական հոդված
@hy
2008年の論文
@ja
2008年論文
@yue
2008年論文
@zh-hant
2008年論文
@zh-hk
2008年論文
@zh-mo
2008年論文
@zh-tw
2008年论文
@wuu
name
Simple continuous and discrete ...... imulations of protein folding.
@ast
Simple continuous and discrete ...... imulations of protein folding.
@en
Simple continuous and discrete ...... imulations of protein folding.
@nl
type
label
Simple continuous and discrete ...... imulations of protein folding.
@ast
Simple continuous and discrete ...... imulations of protein folding.
@en
Simple continuous and discrete ...... imulations of protein folding.
@nl
prefLabel
Simple continuous and discrete ...... imulations of protein folding.
@ast
Simple continuous and discrete ...... imulations of protein folding.
@en
Simple continuous and discrete ...... imulations of protein folding.
@nl
P2860
P356
P1476
Simple continuous and discrete ...... simulations of protein folding
@en
P2093
Michael Andrec
Ronald M Levy
P2860
P304
P356
10.1021/JP076377+
P407
P577
2008-02-06T00:00:00Z