A carregar...

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...

ver descrição completa

Na minha lista:
Detalhes bibliográficos
Publicado no:J Phys Chem Lett
Main Authors: Jin, Jaehyeok, Pak, Alexander J., Voth, Gregory A.
Formato: Artigo
Idioma:Inglês
Publicado em: 2019
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
Tags: Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!