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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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Autors principals: Chen, Changjun, Xiao, Yi, Zhang, Linsen
Format: Artigo
Idioma:Inglês
Publicat: Biophysical Society 2005
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Accés en línia: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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