Communication: Simulated tempering with fast on-the-fly weight determination.
about
Locally weighted histogram analysis and stochastic solution for large-scale multi-state free energy estimation.Amyloid β Protein and Alzheimer's Disease: When Computer Simulations Complement Experimental Studies.The OPEP protein model: from single molecules, amyloid formation, crowding and hydrodynamics to DNA/RNA systemsProtein Simulations in Fluids: Coupling the OPEP Coarse-Grained Force Field with HydrodynamicsEffects of Zn2+ binding on the structural and dynamic properties of amyloid β peptide associated with Alzheimer's disease: Asp1 or Glu11?Fluctuation Flooding Method (FFM) for accelerating conformational transitions of proteins.Effect of the Tottori familial disease mutation (D7N) on the monomers and dimers of Aβ40 and Aβ42.Importance of the ion-pair interactions in the OPEP coarse-grained force field: parametrization and validation.Communication: Multiple atomistic force fields in a single enhanced sampling simulation.A hybrid MD-kMC algorithm for folding proteins in explicit solvent.Molecular dynamics simulations and novel drug discovery.Optimal updating magnitude in adaptive flat-distribution sampling.What Can Human-Guided Simulations Bring to RNA Folding?Enhancing pairwise state-transition weights: A new weighting scheme in simulated tempering that can minimize transition time between a pair of conformational states.On the use of mass scaling for stable and efficient simulated tempering with molecular dynamics.Simulated tempering based on global balance or detailed balance conditions: Suwa-Todo, heat bath, and Metropolis algorithms.
P2860
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P2860
Communication: Simulated tempering with fast on-the-fly weight determination.
description
2013 nî lūn-bûn
@nan
2013年の論文
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2013年学术文章
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2013年学术文章
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2013年学术文章
@zh-cn
2013年学术文章
@zh-hans
2013年学术文章
@zh-my
2013年学术文章
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2013年學術文章
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name
Communication: Simulated tempering with fast on-the-fly weight determination.
@en
Communication: Simulated tempering with fast on-the-fly weight determination.
@nl
type
label
Communication: Simulated tempering with fast on-the-fly weight determination.
@en
Communication: Simulated tempering with fast on-the-fly weight determination.
@nl
prefLabel
Communication: Simulated tempering with fast on-the-fly weight determination.
@en
Communication: Simulated tempering with fast on-the-fly weight determination.
@nl
P2860
P356
P1476
Communication: Simulated tempering with fast on-the-fly weight determination
@en
P2093
Philippe Derreumaux
Phuong H Nguyen
P2860
P304
P356
10.1063/1.4792046
P407
P50
P577
2013-02-01T00:00:00Z