Convergence of folding free energy landscapes via application of enhanced sampling methods in a distributed computing environment.
about
The roles of entropy and kinetics in structure predictionTaming the complexity of protein foldingThe predicted structure of the headpiece of the Huntingtin protein and its implications on Huntingtin aggregationLarge-scale asynchronous and distributed multidimensional replica exchange molecular simulations and efficiency analysisExploring the universe of protein structures beyond the Protein Data BankEquilibrium sampling in biomolecular simulationsPartial unfolding and refolding for structure refinement: A unified approach of geometric simulations and molecular dynamics.Union of geometric constraint-based simulations with molecular dynamics for protein structure prediction.Locally weighted histogram analysis and stochastic solution for large-scale multi-state free energy estimation.Optimized molecular dynamics force fields applied to the helix-coil transition of polypeptidesRapid equilibrium sampling initiated from nonequilibrium dataError and efficiency of simulated tempering simulations.Conformational Transition Pathways of Epidermal Growth Factor Receptor Kinase Domain from Multiple Molecular Dynamics Simulations and Bayesian Clustering.Network models for molecular kinetics and their initial applications to human healthGeneralized simulated tempering for exploring strong phase transitions.Transferable coarse-grained potential for de novo protein folding and designFinding Our Way in the Dark Proteome.Molecular simulations of protein disorder.A multiscale approach to sampling nascent peptide chains in the ribosomal exit tunnel.Constructing multi-resolution Markov State Models (MSMs) to elucidate RNA hairpin folding mechanismsAutomated sampling assessment for molecular simulations using the effective sample size.Structural insight into RNA hairpin folding intermediatesTopological methods for exploring low-density states in biomolecular folding pathways.Structuring and sampling complex conformation space: Weighted ensemble dynamics simulations.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.Comparing parallel- and simulated-tempering-enhanced sampling algorithms at phase-transition regimes.A simple protocol for the probability weights of the simulated tempering algorithm: applications to first-order phase transitions.
P2860
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P2860
Convergence of folding free energy landscapes via application of enhanced sampling methods in a distributed computing environment.
description
2008 nî lūn-bûn
@nan
2008 թուականի Մայիսին հրատարակուած գիտական յօդուած
@hyw
2008 թվականի մայիսին հրատարակված գիտական հոդված
@hy
2008年の論文
@ja
2008年論文
@yue
2008年論文
@zh-hant
2008年論文
@zh-hk
2008年論文
@zh-mo
2008年論文
@zh-tw
2008年论文
@wuu
name
Convergence of folding free en ...... ributed computing environment.
@ast
Convergence of folding free en ...... ributed computing environment.
@en
type
label
Convergence of folding free en ...... ributed computing environment.
@ast
Convergence of folding free en ...... ributed computing environment.
@en
prefLabel
Convergence of folding free en ...... ributed computing environment.
@ast
Convergence of folding free en ...... ributed computing environment.
@en
P2093
P2860
P356
P1476
Convergence of folding free en ...... ributed computing environment.
@en
P2093
Gregory R Bowman
Vijay S Pande
Xuhui Huang
P2860
P304
P356
10.1063/1.2908251
P407
P577
2008-05-01T00:00:00Z