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Molecular dynamics of ferrocytochrome c: Time dependence of the atomic displacements

✍ Scribed by John D. Morgan; J. Andrew McCammon; Scott H. Northrup

Publisher
Wiley (John Wiley & Sons)
Year
1983
Tongue
English
Weight
794 KB
Volume
22
Category
Article
ISSN
0006-3525

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✦ Synopsis

The thermal motions of the atoms in a dynamical simulation of ferrocytochrome c are geometrically decomposed into local and highly collective components, and the contributions of these components to the net motion are determined for different intervals of time. It is found that the atomic displacement magnitudes and anisotropies are governed by local motions for times s, but that the highly collective motions tend to be dominant a t longer times. Variations in this behavior are noted among different groups of atoms. Orientational correlations between the preferred directions of atomic displacement and elements of the protein structure are analyzed as a function of time scale. Finally, several significant implications of these results with respect to protein structure and function are considered.

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