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Temperature-Dependent Folding Pathways of Pin1 WW Domain: An All-Atom Molecular Dynamics Simulation of a Gō Model

We study the folding thermodynamics and kinetics of the Pin1 WW domain, a three-stranded β-sheet protein, by using all-atom (except nonpolar hydrogens) discontinuous molecular dynamics simulations at various temperatures with a Gō model. The protein exhibits a two-state folding kinetics near the fol...

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Bibliographic Details
Main Authors: Luo, Zhonglin, Ding, Jiandong, Zhou, Yaoqi
Format: Artigo
Language:Inglês
Published: Biophysical Society 2007
Subjects:
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC1959547/
https://ncbi.nlm.nih.gov/pubmed/17513360
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.106.102095
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