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(Un)Folding Mechanisms of the FBP28 WW Domain in Explicit Solvent Revealed by Multiple Rare Event Simulation Methods

We report a numerical study of the (un)folding routes of the truncated FBP28 WW domain at ambient conditions using a combination of four advanced rare event molecular simulation techniques. We explore the free energy landscape of the native state, the unfolded state, and possible intermediates, with...

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Bibliografiske detaljer
Main Authors: Juraszek, Jarek, Bolhuis, Peter G.
Format: Artigo
Sprog:Inglês
Udgivet: The Biophysical Society 2010
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC2820652/
https://ncbi.nlm.nih.gov/pubmed/20159161
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bpj.2009.10.039
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