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Bayesian selection for coarse-grained models of liquid water
The necessity for accurate and computationally efficient representations of water in atomistic simulations that can span biologically relevant timescales has born the necessity of coarse-grained (CG) modeling. Despite numerous advances, CG water models rely mostly on a-priori specified assumptions....
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| Publicado no: | Sci Rep |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group UK
2019
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6331618/ https://ncbi.nlm.nih.gov/pubmed/30643172 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41598-018-37471-0 |
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