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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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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
National Academy of Sciences
2007
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| Assuntos: | |
| Acesso em linha: | 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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