about
Enhanced, targeted sampling of high-dimensional free-energy landscapes using variationally enhanced sampling, with an application to chignolinStructural dissimilarity sampling with dynamically self-guiding selection.Partial unfolding and refolding for structure refinement: A unified approach of geometric simulations and molecular dynamics.A self-learning algorithm for biased molecular dynamics.Enantiospecificity of chloroperoxidase-catalyzed epoxidation: biased molecular dynamics study of a cis-β-methylstyrene/chloroperoxidase-compound I complexCy3-DNA stacking interactions strongly depend on the identity of the terminal basepair.Protein unfolding under force: crack propagation in a network.Molecular simulations of RNA 2'-O-transesterification reaction models in solution.A New Maximum Likelihood Approach for Free Energy Profile Construction from Molecular Simulations.Roadmaps through free energy landscapes calculated using the multi-dimensional vFEP approach.Extended canonical Monte Carlo methods: Improving accuracy of microcanonical calculations using a reweighting technique.Direct Learning Hidden Excited State Interaction Patterns from ab initio Dynamics and Its Implication as Alternative Molecular Mechanism Models.Theory of Adaptive Optimization for Umbrella Sampling.Recognizing molecular patterns by machine learning: an agnostic structural definition of the hydrogen bond.Adaptive-numerical-bias metadynamics.Variationally Optimized Free-Energy Flooding for Rate Calculation.
P2860
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P2860
description
2009 nî lūn-bûn
@nan
2009 թուականի Ապրիլին հրատարակուած գիտական յօդուած
@hyw
2009 թվականի ապրիլին հրատարակված գիտական հոդված
@hy
2009年の論文
@ja
2009年学术文章
@wuu
2009年学术文章
@zh-cn
2009年学术文章
@zh-hans
2009年学术文章
@zh-my
2009年学术文章
@zh-sg
2009年學術文章
@yue
name
Gaussian-mixture umbrella sampling.
@ast
Gaussian-mixture umbrella sampling.
@en
type
label
Gaussian-mixture umbrella sampling.
@ast
Gaussian-mixture umbrella sampling.
@en
prefLabel
Gaussian-mixture umbrella sampling.
@ast
Gaussian-mixture umbrella sampling.
@en
P2860
P356
P1476
Gaussian-mixture umbrella sampling.
@en
P2093
Arjan van der Vaart
Paul Maragakis
P2860
P304
P356
10.1021/JP808381S
P407
P577
2009-04-01T00:00:00Z