| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 10537256 | Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics | 2013 | 5 Pages |
Abstract
⺠We model the non-biased oxygen entrance in two globins: Mb and CerHb. ⺠The simulations show specificity to the system. ⺠Mb presents multiple entrance pathways. CerHb only one apolar channel. ⺠64% of entrance in Mb's active site is done by the distal histidine. ⺠Monte Carlo methods (PELE) are capable of mapping long timescale ligand migration.
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Analytical Chemistry
Authors
M. Fátima Lucas, VÃctor Guallar,