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J Am Chem Soc. 2008 Sep 10;130(36):11854-5. doi: 10.1021/ja803972g. Epub 2008 Aug 16.

Chemical denaturants inhibit the onset of dewetting.

Author information

1
Department of Physics, Stanford University, Stanford California 94305, USA.

Abstract

The mechanism by which the aqueous cosolvents guanidinium chloride and urea denature proteins is a matter of controversy. Here, we use all-atom molecular dynamics simulations to study the effect of both denaturants on the dewetting of water confined between nanoseparated hydrophobic plates. It is found that the denaturants inhibit the onset of dewetting, so that it occurs at shorter interplate distances than in pure water. Our results support a role for urea and guanidinium in assisting in the solvation of nonpolar surfaces, thereby weakening hydrophobic effects known to be important for protein stability.

PMID:
18707183
PMCID:
PMC2637366
DOI:
10.1021/ja803972g
[Indexed for MEDLINE]
Free PMC Article

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