Collapse transition of a hydrophobic self-avoiding random walk in a coarse-grained model solvent

Mathieu Gaudreault, Jorge Viñals

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9 Scopus citations

Abstract

In order to study solvation effects on protein folding, we analyze the collapse transition of a self-avoiding random walk composed of hydrophobic segments that is embedded in a lattice model of a solvent. As expected, hydrophobic interactions lead to an attractive potential of mean force among chain segments. As a consequence, the random walk in solvent undergoes a collapse transition at a higher temperature than in its absence. Chain collapse is accompanied by the formation of a region depleted of solvent around the chain. In our simulation, the depleted region at collapse is as large as our computational domain.

Original languageEnglish (US)
Article number021916
JournalPhysical Review E - Statistical, Nonlinear, and Soft Matter Physics
Volume80
Issue number2
DOIs
StatePublished - Aug 17 2009

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