ISSN:
1572-8951
Keywords:
Molecular dynamics
;
essential degrees of freedom of proteins
;
lysozyme
;
haloalkane dehalogenase
;
HPr
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract Analysis of extended molecular dynamics (MD) simulations of several proteins in aquous solutions reveals that it is possible to separate the configurational space into two subspaces: (1) an ‘essential’ subspace containing only a few degrees of freedom in which anharmonic motion occurs that comprises most of the positional fluctuations; and (2) the remaining space in which the motion has a narrow Gaussian distribution and which can be considered as ‘physically constrained’.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00999579
