Systematic QM/MM investigation of factors that affect the cytochrome P450-catalyzed hydrogen abstraction of camphor
The hydrogen abstraction reaction of camphor in cytochrome P450(cam) has been investigated in the native enzyme environment by combined quantum mechanical/molecular mechanical (QM/MM) calculations and in the gas phase by density functional calculations. This work has been motivated by contradictory...
| Veröffentlicht in: | Journal of computational chemistry. - 1984. - 27(2006), 12 vom: 01. Sept., Seite 1324-37 |
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| Format: | Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2006
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| Zugriff auf das übergeordnete Werk: | Journal of computational chemistry |
| Schlagworte: | Journal Article Research Support, Non-U.S. Gov't Camphor 76-22-2 Hydrogen 7YNJ3PO35Z Cytochrome P-450 Enzyme System 9035-51-2 |