2002
Drying-induced hydrophobic polymer collapse
Publication
Publication
PNAS , Volume 99 p. 6519- 7186
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.
| Additional Metadata | |
|---|---|
| doi.org/10.1073/pnas.052153299 | |
| PNAS | |
| Organisation | Biochemical Networks |
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ten Wolde, P. R., & Chandler, D. (2002). Drying-induced hydrophobic polymer collapse. PNAS, 99, 6519–7186. doi:10.1073/pnas.052153299 |
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