| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1956270 | Biophysical Journal | 2008 | 5 Pages |
Abstract
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.
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Authors
Massimiliano Anselmi, Alfredo Di Nola, Andrea Amadei,