Exploring the energy landscape of protein folding using replica-exchange and conventional molecular dynamics simulations
about
A kinetic model of trp-cage folding from multiple biased molecular dynamics simulationsMolecular dynamics simulations of G-DNA and perspectives on the simulation of nucleic acid structuresCircular permutation of the Trp-cage: fold rescue upon addition of a hydrophobic stapleEquilibrium sampling in biomolecular simulationsCharacterization of the protein unfolding processes induced by urea and temperatureKnottin cyclization: impact on structure and dynamics.Conformational populations of ligand-sized molecules by replica exchange molecular dynamics and temperature reweighting.Simple continuous and discrete models for simulating replica exchange simulations of protein folding.Role of tryptophan side chain dynamics on the Trp-cage mini-protein folding studied by molecular dynamics simulations.Enhanced sampling techniques in molecular dynamics simulations of biological systems.Direct observation of microscopic reversibility in single-molecule protein folding.Achieving secondary structural resolution in kinetic measurements of protein folding: a case study of the folding mechanism of Trp-cage.Simulating replica exchange simulations of protein folding with a kinetic network model.Dynamics of metastable β-hairpin structures in the folding nucleus of amyloid β-protein.Using D-Amino Acids to Delineate the Mechanism of Protein Folding: Application to Trp-cage.Insights into membrane translocation of the cell-penetrating peptide pVEC from molecular dynamics calculations.Thermodynamics of the Trp-cage miniprotein unfolding in ureaStructural dynamics of possible late-stage intermediates in folding of quadruplex DNA studied by molecular simulations.Characterization of the cofactor-induced folding mechanism of a zinc-binding peptide using computationally designed mutants.Salt dependence of an alpha-helical peptide folding energy landscapes.Optimal salt bridge for Trp-cage stabilization.Preserving the Boltzmann ensemble in replica-exchange molecular dynamics.RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview.Insights into the Molecular Mechanisms of Alzheimer's and Parkinson's Diseases with Molecular Simulations: Understanding the Roles of Artificial and Pathological Missense Mutations in Intrinsically Disordered Proteins Related to Pathology.Enhancing pairwise state-transition weights: A new weighting scheme in simulated tempering that can minimize transition time between a pair of conformational states.Folding dynamics of Trp-cage in the presence of chemical interference and macromolecular crowding. I.
P2860
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P2860
Exploring the energy landscape of protein folding using replica-exchange and conventional molecular dynamics simulations
description
2006 nî lūn-bûn
@nan
2006年の論文
@ja
2006年論文
@yue
2006年論文
@zh-hant
2006年論文
@zh-hk
2006年論文
@zh-mo
2006年論文
@zh-tw
2006年论文
@wuu
2006年论文
@zh
2006年论文
@zh-cn
name
Exploring the energy landscape ...... molecular dynamics simulations
@en
Exploring the energy landscape ...... molecular dynamics simulations
@nl
type
label
Exploring the energy landscape ...... molecular dynamics simulations
@en
Exploring the energy landscape ...... molecular dynamics simulations
@nl
prefLabel
Exploring the energy landscape ...... molecular dynamics simulations
@en
Exploring the energy landscape ...... molecular dynamics simulations
@nl
P2860
P1476
Exploring the energy landscape ...... molecular dynamics simulations
@en
P2093
David A C Beck
George W N White
P2860
P304
P356
10.1016/J.JSB.2006.10.002
P577
2006-10-11T00:00:00Z