The Final Catalytic Step of Cytochrome P450 Aromatase: A Density Functional Theory Study.

B3LYP density functional theory calculations are used to unravel the mysterious third step of aromatase catalysis. The feasibility of mechanisms in which the reduced ferrous dioxygen intermediate mediates androgen aromatization is explored and determined to be unlikely. However, proton-assisted homo...

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Publicado en:	Journal of the American Chemical Society Vol. 127; no. 14; pp. 5224 - 5238
Autores principales:	Hackett, John C, Brueggemeier, Robert W., Hadad, Christopher M.
Formato:	Artículo
Publicado:	American Chemical Society 4/13/2005
Materias:	Cytochrome P-450 Density functionals Surface chemistry Cytochromes Molecular dynamics Dehydrogenases
Acceso en línea:	Ver este registro en EBSCOhost