about
Large-scale asynchronous and distributed multidimensional replica exchange molecular simulations and efficiency analysisAsynchronous Replica Exchange Software for Grid and Heterogeneous ComputingAntigenic characteristics of rhinovirus chimeras designed in silico for enhanced presentation of HIV-1 gp41 epitopes [corrected].Convergence of folding free energy landscapes via application of enhanced sampling methods in a distributed computing environment.Conformational populations of ligand-sized molecules by replica exchange molecular dynamics and temperature reweighting.Prediction of SAMPL3 host-guest affinities with the binding energy distribution analysis method (BEDAM).Free Energy-Based Virtual Screening and Optimization of RNase H Inhibitors of HIV-1 Reverse Transcriptase.Replica exchanging self-guided Langevin dynamics for efficient and accurate conformational samplingEfficient large-scale replica-exchange simulations on production infrastructure.Simulating Replica Exchange: Markov State Models, Proposal Schemes, and the Infinite Swapping Limit.In silico vaccine design based on molecular simulations of rhinovirus chimeras presenting HIV-1 gp41 epitopes.Replica exchange and expanded ensemble simulations as Gibbs sampling: simple improvements for enhanced mixing.A combined treatment of hydration and dynamical effects for the modeling of host-guest binding thermodynamics: the SAMPL5 blinded challenge.Greedy replica exchange algorithm for heterogeneous computing grids.Folding a viral peptide in different membrane environments: pathway and sampling analyses.Enhanced Sampling in Molecular Dynamics Using Metadynamics, Replica-Exchange, and Temperature-AccelerationUsing collective variables to drive molecular dynamics simulationsDistributed computing practice for large-scale science and engineering applications
P2860
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P2860
description
2008 nî lūn-bûn
@nan
2008 թուականի Ապրիլին հրատարակուած գիտական յօդուած
@hyw
2008 թվականի ապրիլին 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
Asynchronous replica exchange for molecular simulations
@ast
Asynchronous replica exchange for molecular simulations
@en
Asynchronous replica exchange for molecular simulations
@nl
type
label
Asynchronous replica exchange for molecular simulations
@ast
Asynchronous replica exchange for molecular simulations
@en
Asynchronous replica exchange for molecular simulations
@nl
prefLabel
Asynchronous replica exchange for molecular simulations
@ast
Asynchronous replica exchange for molecular simulations
@en
Asynchronous replica exchange for molecular simulations
@nl
P2860
P356
P1476
Asynchronous replica exchange for molecular simulations
@en
P2093
Manish Parashar
Ronald M Levy
P2860
P304
P356
10.1002/JCC.20839
P577
2008-04-01T00:00:00Z