Large-scale asynchronous and distributed multidimensional replica exchange molecular simulations and efficiency analysis

Large-scale asynchronous and distributed multidimensional replica exchange molecular simulations and efficiency analysis

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http://www.wikidata.org/entity/Q27334394
Asynchronous Replica Exchange Software for Grid and Heterogeneous ComputingLocally weighted histogram analysis and stochastic solution for large-scale multi-state free energy estimation.A Stochastic Solution to the Unbinned WHAM Equations.Investigation of the bindings of a class of inhibitors with GSK3β kinase using thermodynamic integration MD simulation and kinase assay.Comparison of force fields for Alzheimer's A β42: A case study for intrinsically disordered proteins.RecollectionEfficacy of independence sampling in replica exchange simulations of ordered and disordered proteins.Stratified UWHAM and Its Stochastic Approximation for Multicanonical Simulations Which Are Far from Equilibrium.Peptide dimerization-dissociation rates from replica exchange molecular dynamics.A combined treatment of hydration and dynamical effects for the modeling of host-guest binding thermodynamics: the SAMPL5 blinded challenge.Computing conformational free energy differences in explicit solvent: An efficient thermodynamic cycle using an auxiliary potential and a free energy functional constructed from the end points.
P2860

Large-scale asynchronous and distributed multidimensional replica exchange molecular simulations and efficiency analysis

Item
http://www.wikidata.org/entity/Q27334394
description
2015 nî lūn-bûn
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2015 թուականի Յուլիսին հրատարակուած գիտական յօդուած
@hyw
2015 թվականի հուլիսին հրատարակված գիտական հոդված
@hy
2015年の論文
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2015年論文
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2015年論文
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2015年論文
@zh-hk
2015年論文
@zh-mo
2015年論文
@zh-tw
2015年论文
@wuu
name
Large-scale asynchronous and d ...... ations and efficiency analysis
@ast
Large-scale asynchronous and d ...... ations and efficiency analysis
@en
Large-scale asynchronous and d ...... ations and efficiency analysis
@nl
type
label
Large-scale asynchronous and d ...... ations and efficiency analysis
@ast
Large-scale asynchronous and d ...... ations and efficiency analysis
@en
Large-scale asynchronous and d ...... ations and efficiency analysis
@nl
prefLabel
Large-scale asynchronous and d ...... ations and efficiency analysis
@ast
Large-scale asynchronous and d ...... ations and efficiency analysis
@en
Large-scale asynchronous and d ...... ations and efficiency analysis
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P698
P932
P356
P1433
P1476
Large-scale asynchronous and d ...... ations and efficiency analysis
@en
P2093
P2860
P304
P31
P356
P407
P433
P478
P50
P577
P698
P932