The kinetics of ligand migration in crystallized myoglobin as revealed by molecular dynamics simulations.
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ABSTRACT:
SUBMITTER: Anselmi M
PROVIDER: S-EPMC2480659 | biostudies-literature | 2008 Jun
REPOSITORIES: biostudies-literature
Publications
The kinetics of ligand migration in crystallized myoglobin as revealed by molecular dynamics simulations.
Anselmi Massimiliano M Di Nola Alfredo A Amadei Andrea A
Biophysical journal 20080229 11
By using multiple molecular dynamics trajectories of photolyzed carbon monoxide (CO) within crystallized myoglobin, a quantitative description of CO diffusion and corresponding kinetics was obtained. Molecular dynamics results allowed us to construct a detailed kinetic model of the migration process, shedding light on the kinetic mechanism and relevant steps of CO migration and remarkably-well reproducing the available experimental data as provided by time-resolved Laue x-ray diffraction. ...[more]
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