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Exploring the Helix-Coil Transition via All-Atom Equilibrium Ensemble Simulations

The ensemble folding of two 21-residue α-helical peptides has been studied using all-atom simulations under several variants of the AMBER potential in explicit solvent using a global distributed computing network. Our extensive sampling, orders of magnitude greater than the experimental folding time...

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Detalhes bibliográficos
Main Authors: Sorin, Eric J., Pande, Vijay S.
Formato: Artigo
Idioma:Inglês
Publicado em: Biophysical Society 2005
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC1305346/
https://ncbi.nlm.nih.gov/pubmed/15665128
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.104.051938
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