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Calculation of the Free Energy and Cooperativity of Protein Folding

Calculation of the free energy of protein folding and delineation of its pre-organization are of foremost importance for understanding, predicting and designing biological macromolecules. Here, we introduce an energy smoothing variant of parallel tempering replica exchange Monte Carlo (REMS) that al...

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Hlavní autoři: Kentsis, Alex, Gindin, Tatyana, Mezei, Mihaly, Osman, Roman
Médium: Artigo
Jazyk:Inglês
Vydáno: Public Library of Science 2007
Témata:
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC1865387/
https://ncbi.nlm.nih.gov/pubmed/17505540
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1371/journal.pone.0000446
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