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A Directed Essential Dynamics Simulation of Peptide Folding

We present a directed essential dynamics (DED) method for peptide and protein folding. DED is a molecular dynamics method based on the essential dynamics sampling and the principal component analysis. The main idea of DED is to use principal component analysis to determine the direction of the most...

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Bibliografiske detaljer
Main Authors: Chen, Changjun, Xiao, Yi, Zhang, Linsen
Format: Artigo
Sprog:Inglês
Udgivet: Biophysical Society 2005
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC1305476/
https://ncbi.nlm.nih.gov/pubmed/15731383
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.104.046904
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