Free-energy function for discriminating
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Satoshi Yasuda; Takashi Yoshidome; Yuichi Harano; Roland Roth; Hiraku Oshima; Ko
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Article
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2011
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John Wiley and Sons
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English
β 688 KB
## Abstract In this study, freeβenergy function (FEF) for discriminating the native fold of a protein from misfolded decoys was investigated. It is a physicsβbased function using an allβatom model, which comprises the hydration entropy (HE) and the total dehydration penalty (TDP). The HE is calcula