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Molecular dynamics and density functional studies on the metabolic selectivity of antipsychotic thioridazine by cytochrome P450 2D6: Connection with crystallographic and metabolic results

Medicinal ChemistryBiochemistryNatural SciencesMedicinePsychotropic MedicationRational Drug DesignMolecular SubstrateMolecular BiologyMetabolic SelectivityMechanism Of ActionCytochrome P450 2D6PharmacologyMolecular DynamicsDrug Discovery