Cargando…

Coarse-Grained Force Fields from the Perspective of Statistical Mechanics: Better Understanding of the Origins of a MARTINI Hangover

[Image: see text] The popular MARTINI coarse-grained model is used as a test case to analyze the adherence of top-down coarse-grained molecular dynamics models (i.e., models primarily parametrized to match experimental results) to the known features of statistical mechanics for the underlying all-at...

Descripción completa

Detalles Bibliográficos
Autores principales: Jarin, Zack, Newhouse, James, Voth, Gregory A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7876797/
https://www.ncbi.nlm.nih.gov/pubmed/33475352
http://dx.doi.org/10.1021/acs.jctc.0c00638