Development of Coarse‐Grained Force Field by Combining Multilinear Interpolation Technique and Simplex Algorithm

A fast, reasonable, and transferable coarse‐grained (CG) molecular dynamics force field (FF) is essential to combine experimental and simulation data. However, the parameterization of CG FF usually requires massive computation, which hinders its rapid development. Here, we presented an efficient opt...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Journal of computational chemistry 2020-03, Vol.41 (8), p.814-829
Hauptverfasser: Wan, Mingwei, Song, Junjie, Li, Wenli, Gao, Lianghui, Fang, Weihai
Format: Artikel
Sprache:eng
Schlagworte:
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!