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.
Anselmi, M., Nola, A.D., & Amadei, A. (2008). The kinetics of ligand migration in crystallized myoglobin as revealed by molecular dynamics simulations. BIOPHYSICAL JOURNAL, 94(11), 4277-4281.
Tipologia: | Articolo su rivista |
Citazione: | Anselmi, M., Nola, A.D., & Amadei, A. (2008). The kinetics of ligand migration in crystallized myoglobin as revealed by molecular dynamics simulations. BIOPHYSICAL JOURNAL, 94(11), 4277-4281. |
IF: | Con Impact Factor ISI |
Lingua: | English |
Settore Scientifico Disciplinare: | Settore CHIM/02 - Chimica Fisica |
Revisione (peer review): | Sì, ma tipo non specificato |
Tipo: | Articolo |
Rilevanza: | Rilevanza internazionale |
Digital Object Identifier (DOI): | http://dx.doi.org/10.1529/biophysj.107.124529 |
Stato di pubblicazione: | Pubblicato |
Data di pubblicazione: | 2008 |
Titolo: | The kinetics of ligand migration in crystallized myoglobin as revealed by molecular dynamics simulations |
Autori: | |
Autori: | Anselmi, M; Nola, AD; Amadei, A |
Appare nelle tipologie: | 01 - Articolo su rivista |