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Simulations of β-hairpin folding confined to spherical pores using distributed computing

We report the thermodynamics and kinetics of an off-lattice Go model β-hairpin from Ig-binding protein confined to an inert spherical pore. Confinement enhances the stability of the hairpin due to the decrease in the entropy of the unfolded state. Compared with their values in the bulk, the rates of...

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Bibliographic Details
Main Authors: Klimov, D. K., Newfield, D., Thirumalai, D.
Format: Artigo
Language:Inglês
Published: The National Academy of Sciences 2002
Subjects:
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC123013/
https://ncbi.nlm.nih.gov/pubmed/12060748
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.072220699
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