The use of computational chemistry in the study of sex steroid biosynthesis.

Abstract excerpt

Many of the steroidogenic enzymes and cofactor proteins are bound to intracellular membranes, frustrating standard methods of structure determination. Structural models of steroidogenic P450 enzymes, however, may be predicted from the x-ray crystal structures of prokaryotic P450s. Using P450-BMP as primary structural template, models of hepatic and steroidogenic P450s have been generated using computational...

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