Clustering of a molecular dynamics trajectory with a Hamming distance
Based on the properties of discrete point arrangements we introduce the concept of dynamical activity, which allows one to formulate a simple double criterion for locating clusters of homologous conformers in a molecular dynamics trajectory.
Gabarro-Arpa
J
LBPA, C.N.R.S. UMR 8532, Ecole Normale Superieure de Cachan, France. jga@infobiogen.fr
Revilla
R