Cargando...

AMOEBA+ Classical Potential for Modeling Molecular Interactions

Classical potentials based on isotropic and additive atomic charges have been widely used to model molecules in computers for the past few decades. The crude approximations in the underlying physics are hindering both their accuracy and transferability across chemical and physical environments. Here...

Descrición completa

Gardado en:
Detalles Bibliográficos
Publicado en:J Chem Theory Comput
Main Authors: Liu, Chengwen, Piquemal, Jean-Philip, Ren, Pengyu
Formato: Artigo
Idioma:Inglês
Publicado: 2019
Assuntos:
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC6615954/
https://ncbi.nlm.nih.gov/pubmed/31136175
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.9b00261
Tags: Engadir etiqueta
Sen Etiquetas, Sexa o primeiro en etiquetar este rexistro!