Catalytic Reaction Mechanism of Homogentisate Dioxygenase: A Hybrid DFT Study.
Human homogentisate dioxygenase is an Fe-dependent enzyme responsible for aromatic ring cleavage. The mechanism of its catalytic reaction has been investigated with the hybrid density functional method B3LYP. A relatively big model of the active site was first used to determine the substrate binding...
| Publicado en: | Journal of the American Chemical Society Vol. 127; no. 49; pp. 17303 - 17315 |
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| Autores principales: | , , |
| Formato: | Artículo |
| Publicado: |
American Chemical Society
12/14/2005
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| Materias: | |
| Acceso en línea: | Ver este registro en EBSCOhost |