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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...

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Bibliografiska uppgifter
Huvudupphovsmän: Miller, Thomas F., Vanden-Eijnden, Eric, Chandler, David
Materialtyp: Artigo
Språk:Inglês
Publicerad: National Academy of Sciences 2007
Ämnen:
Länkar: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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