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Publikováno v:
Journal of Chemical Physics; 1/14/2006, Vol. 124 Issue 2, p024905, 13p, 2 Diagrams, 2 Charts, 12 Graphs
Publikováno v:
The Journal of chemical physics. 124(2)
Global measures of structural diversity within a distribution of biopolymers, such as the radius of gyration and percent native contacts, have proven useful in the analysis of simulation data for protein folding. In this paper we describe a statistic
Autor:
Patricia Wang Pan, Stuart M. Rothstein, Shigenori Tanaka, Russell J. Dickson, Heather L. Gordon
Publikováno v:
The Journal of Chemical Physics. 122:034904
Functionally relevant motion of proteins has been associated with a number of atoms moving in a concerted fashion along so-called "collective coordinates." We present an approach to extract collective coordinates from conformations obtained from mole