Absolute free energies estimated by combining precalculated molecular fragment libraries
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Extending fragment-based free energy calculations with library Monte Carlo simulation: annealing in interaction spaceAccelerated convergence of molecular free energy via superposition approximation-based reference statesRapid sampling of all-atom peptides using a library-based polymer-growth approach.General library-based Monte Carlo technique enables equilibrium sampling of semi-atomistic protein models.Efficient equilibrium sampling of all-atom peptides using library-based Monte Carlo.Tunable, mixed-resolution modeling using library-based Monte Carlo and graphics processing units.Free-energy calculations for semi-flexible macromolecules: applications to DNA knotting and looping.Automated sampling assessment for molecular simulations using the effective sample size.Absolute free energies and equilibrium ensembles of dense fluids computed from a nondynamic growth method.Systematic Testing of Belief-Propagation Estimates for Absolute Free Energies in Atomistic Peptides and Proteins.
P2860
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P2860
Absolute free energies estimated by combining precalculated molecular fragment libraries
description
2009 nî lūn-bûn
@nan
2009 թուականի Օգոստոսին հրատարակուած գիտական յօդուած
@hyw
2009 թվականի օգոստոսին հրատարակված գիտական հոդված
@hy
2009年の論文
@ja
2009年論文
@yue
2009年論文
@zh-hant
2009年論文
@zh-hk
2009年論文
@zh-mo
2009年論文
@zh-tw
2009年论文
@wuu
name
Absolute free energies estimated by combining precalculated molecular fragment libraries
@ast
Absolute free energies estimated by combining precalculated molecular fragment libraries
@en
type
label
Absolute free energies estimated by combining precalculated molecular fragment libraries
@ast
Absolute free energies estimated by combining precalculated molecular fragment libraries
@en
prefLabel
Absolute free energies estimated by combining precalculated molecular fragment libraries
@ast
Absolute free energies estimated by combining precalculated molecular fragment libraries
@en
P2860
P356
P1476
Absolute free energies estimated by combining precalculated molecular fragment libraries
@en
P2093
Artem B Mamonov
P2860
P304
P356
10.1002/JCC.21337
P577
2009-08-01T00:00:00Z