Concurrent Cooperativity and Substrate Inhibition in the Epoxidation of Carbamazepine by Cytochrome P450 3A4 Active Site Mutants Inspired by Molecular Dynamics Simulations

January 15th, 2015 by Christian S. Müller, Tim Knehans, Dmitri R. Davydov, Patricia L. Bounds, Ursula von Mandach, James R. Halpert, Amedeo Caflisch and Willem H. Koppenol

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DOI: 10.1021/bi5011656