Metadynamics in the conformational space nonlinearly dimensionally reduced by Isomap.
about
Topological obstructions in the way of data-driven collective variables.Free-energy landscape of ion-channel voltage-sensor-domain activationModeling and enhanced sampling of molecular systems with smooth and nonlinear data-driven collective variables.Using sketch-map coordinates to analyze and bias molecular dynamics simulationsEvaluation of Dimensionality-reduction Methods from Peptide Folding-unfolding Simulations.Charting molecular free-energy landscapes with an atlas of collective variables.Metadynamic metainference: Enhanced sampling of the metainference ensemble using metadynamics.Reducing the number of mean-square deviation calculations with floating close structure in metadynamics.Chebyshev high-dimensional model representation (Chebyshev-HDMR) potentials: application to reactive scattering of H2 from Pt(111) and Cu(111) surfaces.Nonlinear vs. linear biasing in Trp-cage folding simulations.Enhanced Sampling in Molecular Dynamics Using Metadynamics, Replica-Exchange, and Temperature-AccelerationNew advances in metadynamics
P2860
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P2860
Metadynamics in the conformational space nonlinearly dimensionally reduced by Isomap.
description
2011 nî lūn-bûn
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2011年の論文
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name
Metadynamics in the conformational space nonlinearly dimensionally reduced by Isomap.
@en
Metadynamics in the conformational space nonlinearly dimensionally reduced by Isomap.
@nl
type
label
Metadynamics in the conformational space nonlinearly dimensionally reduced by Isomap.
@en
Metadynamics in the conformational space nonlinearly dimensionally reduced by Isomap.
@nl
prefLabel
Metadynamics in the conformational space nonlinearly dimensionally reduced by Isomap.
@en
Metadynamics in the conformational space nonlinearly dimensionally reduced by Isomap.
@nl
P2860
P356
P1476
Metadynamics in the conformational space nonlinearly dimensionally reduced by Isomap
@en
P2093
Blanka Králová
P2860
P304
P356
10.1063/1.3660208
P407
P577
2011-12-01T00:00:00Z