MODELING OF FLEXIBLE DRUG-LIKE MOLECULES: QSAR OF GBR 12909 ANALOG DAT/SERT SELECTIVITY by Kathleen Mary Gilbert The dopamine reuptake inhibitor GBR 12909 and related dialkyl piperazine and piperidine analogs have been studied as agonist substitution therapies acting on the dopamine transporter (DAT) to treat cocaine addiction. Undesirable binding to the serotonin transporter (SERT) can vary gr...