K-means find density peaks in molecular conformation clustering

Performing cluster analysis on molecular conformation is an important way to find the representative conformation in the molecular dynamics trajectories. Usually, it is a critical step for interpreting complex conformational changes or interaction mechanisms. As one of the density-based clustering a...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Chinese journal of chemical physics 2022-04, Vol.35 (2), p.353-368
Hauptverfasser:	Wang, Guiyan, Fu, Ting, Ren, Hong, Xu, Peijun, Guo, Qiuhan, Mou, Xiaohong, Li, Yan, Li, Guohui
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!