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Solvent coarse-graining and the string method applied to the hydrophobic collapse of a hydrated chain

With computer simulations of >100,000 atoms, the mechanism for the hydrophobic collapse of an idealized hydrated chain was obtained by tiling space with (0.2 nm)(3) cubes and projecting the atomistic water molecule positions onto this grid. With the coarse-grained field thus defined, the string m...

詳細記述

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書誌詳細
主要な著者: Miller, Thomas F., Vanden-Eijnden, Eric, Chandler, David
フォーマット: Artigo
言語:Inglês
出版事項: National Academy of Sciences 2007
主題:
オンライン・アクセス:https://ncbi.nlm.nih.gov/pmc/articles/PMC1955457/
https://ncbi.nlm.nih.gov/pubmed/17726097
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1073/pnas.0705830104
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