| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5374517 | Chemical Physics | 2012 | 7 Pages |
Abstract
⺠We studied ultrafast ligand dynamics in truncated hemoglobin HbO from M. tuberculosis. ⺠CO, NO, and O2 all have a very low probability to escape from the heme pocket. ⺠Fast CO geminate rebinding is robust against changes in close aromatic residues. ⺠Molecular dynamics simulations suggest origins of caging.
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Authors
Audrius Jasaitis, Hugues Ouellet, Jean-Christophe Lambry, Jean-Louis Martin, Joel M. Friedman, Michel Guertin, Marten H. Vos,