Clustering of a molecular dynamics trajectory with a Hamming distance

Authors
Gabarro-Arpa, J Revilla, R
Citation
J. Gabarro-arpa et R. Revilla, Clustering of a molecular dynamics trajectory with a Hamming distance, COMPUT CHEM, 24(6), 2000, pp. 693-698
Citations number
25
Categorie Soggetti
Chemistry
Journal title
COMPUTERS & CHEMISTRY
ISSN journal
00978485 → ACNP
Volume
24
Issue
6
Year of publication
2000
Pages
693 - 698
Database
ISI
SICI code
0097-8485(200009)24:6<693:COAMDT>2.0.ZU;2-7
Abstract
Based on the properties of discrete point arrangements we introduce the con cept of dynamical activity, which allows one to formulate a simple double c riterion for locating clusters of homologous conformers in a molecular dyna mics trajectory. (C) 2000 Elsevier Science Ltd. All rights reserved.