Brownian dynamics simulations of protein folding: access to milliseconds time scale and beyond
about
Atomic interaction networks in the core of protein domains and their native foldsPrinciples and Overview of Sampling Methods for Modeling Macromolecular Structure and DynamicsEnergy transduction in the F1 motor of ATP synthaseBimolecular reaction simulation using Weighted Ensemble Brownian dynamics and the University of Houston Brownian Dynamics programModulation of p53 binding to MDM2: computational studies reveal important roles of Tyr100Understanding ligand-receptor non-covalent binding kinetics using molecular modeling.WESTPA: an interoperable, highly scalable software package for weighted ensemble simulation and analysisEfficient and verified simulation of a path ensemble for conformational change in a united-residue model of calmodulin.Simulating rare events using a weighted ensemble-based string method.Weighted Ensemble Simulation: Review of Methodology, Applications, and Software.The "weighted ensemble" path sampling method is statistically exact for a broad class of stochastic processes and binning procedures.Diffusion-collision model study of misfolding in a four-helix bundle protein.Simultaneous Computation of Dynamical and Equilibrium Information Using a Weighted Ensemble of Trajectories.Heterogeneous path ensembles for conformational transitions in semi-atomistic models of adenylate kinase.Assembly of a tetrameric alpha-helical bundle: computer simulations on an intermediate-resolution protein model.Multiscale methods framework: self-consistent coupling of molecular theory of solvation with quantum chemistry, molecular simulations, and dissipative particle dynamics.Multiple time step molecular dynamics in the optimized isokinetic ensemble steered with the molecular theory of solvation: accelerating with advanced extrapolation of effective solvation forces.
P2860
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P2860
Brownian dynamics simulations of protein folding: access to milliseconds time scale and beyond
description
1998 nî lūn-bûn
@nan
1998年の論文
@ja
1998年学术文章
@wuu
1998年学术文章
@zh-cn
1998年学术文章
@zh-hans
1998年学术文章
@zh-my
1998年学术文章
@zh-sg
1998年學術文章
@yue
1998年學術文章
@zh
1998年學術文章
@zh-hant
name
Brownian dynamics simulations ...... iseconds time scale and beyond
@ast
Brownian dynamics simulations ...... iseconds time scale and beyond
@en
type
label
Brownian dynamics simulations ...... iseconds time scale and beyond
@ast
Brownian dynamics simulations ...... iseconds time scale and beyond
@en
prefLabel
Brownian dynamics simulations ...... iseconds time scale and beyond
@ast
Brownian dynamics simulations ...... iseconds time scale and beyond
@en
P2093
P2860
P356
P1476
Brownian dynamics simulations ...... iseconds time scale and beyond
@en
P2093
A Rojnuckarin
S Subramaniam
P2860
P304
P356
10.1073/PNAS.95.8.4288
P407
P577
1998-04-01T00:00:00Z