The kinetics of ligand migration in crystallized myoglobin as revealed by molecular dynamics simulations

被引：29

作者：

Anselmi, Massimiliano ^{[2
]}

Di Nola, Alfredo ^{[2
]}

Amadei, Andrea ^{[1
]}

机构：

[1] Univ Roma Tor Vergata, Dept Chem, Rome, Italy

[2] Univ Roma La Sapienza, Dept Chem, I-00185 Rome, Italy

来源：

BIOPHYSICAL JOURNAL | 2008年 / 94卷 / 11期

关键词：

D O I：

10.1529/biophysj.107.124529

中图分类号：

Q6 [生物物理学];

学科分类号：

071011 ;

摘要：

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.

引用

页码：4277 / 4281

页数：5

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