Characterization of a dynamic string method for the construction of transition pathways in molecular reactions
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Extended Phase-Space Methods for Enhanced Sampling in Molecular Simulations: A ReviewDiffusion along the splitting/commitment probability reaction coordinateAtomic-level characterization of transport cycle thermodynamics in the glycerol-3-phosphate:phosphate antiporterConformational Transition Pathways of Epidermal Growth Factor Receptor Kinase Domain from Multiple Molecular Dynamics Simulations and Bayesian Clustering.Mechanism of substrate translocation by a ring-shaped ATPase motor at millisecond resolutionSimulating rare events using a weighted ensemble-based string method.A theoretical view of protein dynamics.Fisher information metric for the Langevin equation and least informative models of continuous stochastic dynamics.Reaction coordinates, one-dimensional Smoluchowski equations, and a test for dynamical self-consistency.A minimization principle for transition paths of maximum flux for collective variables.Predicting reaction coordinates in energy landscapes with diffusion anisotropy.Microscopically computing free-energy profiles and transition path time of rare macromolecular transitions.
P2860
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P2860
Characterization of a dynamic string method for the construction of transition pathways in molecular reactions
description
2012 nî lūn-bûn
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2012年の論文
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2012年論文
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2012年論文
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2012年論文
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2012年論文
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2012年論文
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2012年论文
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2012年论文
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name
Characterization of a dynamic ...... athways in molecular reactions
@ast
Characterization of a dynamic ...... athways in molecular reactions
@en
type
label
Characterization of a dynamic ...... athways in molecular reactions
@ast
Characterization of a dynamic ...... athways in molecular reactions
@en
prefLabel
Characterization of a dynamic ...... athways in molecular reactions
@ast
Characterization of a dynamic ...... athways in molecular reactions
@en
P2860
P356
P1476
Characterization of a dynamic ...... athways in molecular reactions
@en
P2860
P304
P356
10.1021/JP212611K
P407
P577
2012-06-05T00:00:00Z