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Drying-induced Hydrophobic Polymer Collapse

Overview
Journal Proc Natl Acad Sci U S A
Specialty Science
Date 2002 May 2
PMID 11983853
Citations 60
Authors
Pieter Rein Ten Wolde
David Chandler
Affiliations
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Abstract

We have used computer simulation to study the collapse of a hydrophobic chain in water. We find that the mechanism of collapse is much like that of a first-order phase transition. The evaporation of water in the vicinity of the polymer provides the driving force for collapse, and the rate limiting step is the nucleation of a sufficiently large vapor bubble. The study is made possible through the application of transition path sampling and a coarse-grained treatment of liquid water. Relevance of our findings to understanding the folding and assembly of proteins is discussed.

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