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Understanding Missing Entropy in Coarse-Grained sSystems: Addressing Issues of Representability and Transferability
Coarse-grained (CG) models facilitate efficient simulation of complex systems by integrating out the atomic, or fine-grained (FG), degrees of freedom. Systematically-derived CG models from FG simulations often attempt to approximate the CG potential of mean force (PMF), an inherently multidimensiona...
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| Publicado no: | J Phys Chem Lett |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2019
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6782054/ https://ncbi.nlm.nih.gov/pubmed/31319036 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpclett.9b01228 |
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