Dynamics of proteins in crystals: comparison of experiment with simple models.
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ABSTRACT:
SUBMITTER: Kundu S
PROVIDER: S-EPMC1302181 | biostudies-other | 2002 Aug
REPOSITORIES: biostudies-other
Publications
Dynamics of proteins in crystals: comparison of experiment with simple models.
Kundu Sibsankar S Melton Julia S JS Sorensen Dan C DC Phillips George N GN
Biophysical journal 20020801 2
The dynamic behavior of proteins in crystals is examined by comparing theory and experiments. The Gaussian network model (GNM) and a simplified version of the crystallographic translation libration screw (TLS) model are used to calculate mean square fluctuations of C(alpha) atoms for a set of 113 proteins whose structures have been determined by x-ray crystallography. Correlation coefficients between the theoretical estimations and experiment are calculated and compared. The GNM method gives bet ...[more]
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