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Molecular Mechanism for Stabilizing a Short Helical Peptide Studied by Generalized-Ensemble Simulations with Explicit Solvent

We study the folding mechanism of an analog of the C-peptide of ribonuclease A in explicit water by a replica-exchange multicanonical molecular dynamics simulation based on all-atom models. The multicanonical weight factor was determined by the combined use of the multicanonical replica-exchange met...

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Detalhes bibliográficos
Main Authors: Sugita, Yuji, Okamoto, Yuko
Formato: Artigo
Idioma:Inglês
Publicado em: Biophysical Society 2005
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC1305468/
https://ncbi.nlm.nih.gov/pubmed/15749777
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.104.049429
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