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Calculation of Binding Free Energies of NAD(P)H:Quinone Oxidoreductase 1 Inhibitors
(2018-04)
NAD(P)H:quinone oxidoreductase 1 (NQO1) plays a key role in cellular defense in humans. It is known to reduce quinones to hydroquinones, inhibiting their ability to become a free radical semiquinone state, and cause cellular ...