Evolving solvent contexts in protein folding: modeling the self-protecting chain

Ariel Fernández

Physica A: Statistical Mechanics and its Applications, 2002, vol. 308, issue 1, 80-88

Abstract: We simulate ab initio the folding of protein chains using a topological predictive algorithm in which conformation-dependent environments are shown to be determined by 3-body correlations. Such correlations protect intramolecular hydrogen bonds from water attack and induce cooperativity.

Keywords: Protein folding; Ab-initio folding simulations; Kosmotrope; Backbone desolvation; Solvophobic effect (search for similar items in EconPapers)
Date: 2002
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:308:y:2002:i:1:p:80-88

DOI: 10.1016/S0378-4371(02)00605-2

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