Application of the accelerated molecular dynamics simulations to the folding of a small protein.
about
Solution-state conformational ensemble of a hexameric porphyrin array characterized using molecular dynamics and X-ray scattering.Trends in template/fragment-free protein structure predictionThe folding transition-state ensemble of a four-helix bundle protein: helix propensity as a determinant and macromolecular crowding as a probe.X-ray scattering combined with coordinate-based analyses for applications in natural and artificial photosynthesis.Enhanced sampling and applications in protein folding in explicit solvent.Studying functional dynamics in bio-molecules using accelerated molecular dynamics.Accelerating chemical reactions: exploring reactive free-energy surfaces using accelerated ab initio molecular dynamicsTuning the Attempt Frequency of Protein Folding Dynamics via Transition-State Rigidification: Application to Trp-Cage.Achieving secondary structural resolution in kinetic measurements of protein folding: a case study of the folding mechanism of Trp-cage.Using D-Amino Acids to Delineate the Mechanism of Protein Folding: Application to Trp-cage.Assessment of local friction in protein folding dynamics using a helix cross-linker.Measuring the shapes of macromolecules - and why it matters.Evaluation of enhanced sampling provided by accelerated molecular dynamics with Hamiltonian replica exchange methods.A selective integrated tempering method.Comparison between integrated and parallel tempering methods in enhanced sampling simulations.Sampling of slow diffusive conformational transitions with accelerated molecular dynamics.Estimating kinetic rates from accelerated molecular dynamics simulations: alanine dipeptide in explicit solvent as a case study.Kinetics and mechanism of the unfolding native-to-loop transition of Trp-cage in explicit solvent via optimized forward flux sampling simulations.Effects of hydrophobic and dipole-dipole interactions on the conformational transitions of a model polypeptide.Practical hyperdynamics method for systems with large changes in potential energy.
P2860
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P2860
Application of the accelerated molecular dynamics simulations to the folding of a small protein.
description
2007 nî lūn-bûn
@nan
2007年の論文
@ja
2007年論文
@yue
2007年論文
@zh-hant
2007年論文
@zh-hk
2007年論文
@zh-mo
2007年論文
@zh-tw
2007年论文
@wuu
2007年论文
@zh
2007年论文
@zh-cn
name
Application of the accelerated ...... he folding of a small protein.
@ast
Application of the accelerated ...... he folding of a small protein.
@en
type
label
Application of the accelerated ...... he folding of a small protein.
@ast
Application of the accelerated ...... he folding of a small protein.
@en
prefLabel
Application of the accelerated ...... he folding of a small protein.
@ast
Application of the accelerated ...... he folding of a small protein.
@en
P2093
P2860
P356
P1476
Application of the accelerated ...... he folding of a small protein.
@en
P2093
Lijiang Yang
Michael Patrick Grubb
Yi Qin Gao
P2860
P304
P356
10.1063/1.2709639
P407
P577
2007-03-01T00:00:00Z