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Rate Constant and Reaction Coordinate of Trp-Cage Folding in Explicit Water

We report rate constant calculations and a reaction coordinate analysis of the rate-limiting folding and unfolding process of the Trp-cage mini-protein in explicit solvent using transition interface sampling. Previous transition path sampling simulations revealed that in this (un)folding process the...

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Autors principals: Juraszek, Jarek, Bolhuis, Peter G.
Format: Artigo
Idioma:Inglês
Publicat: The Biophysical Society 2008
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC2567936/
https://ncbi.nlm.nih.gov/pubmed/18676648
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1529/biophysj.108.136267
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