Jia-Ming Guo

Insight into the differential binding mechanisms of substrate, cocaine, and therapeutic drugs with dopamine transporter based on molecular dynamics simulations.

The dopamine transporter (DAT) is a key membrane protein regulating dopaminergic signaling and a primary target of addictive drugs and therapeutic inhibitors. However, the atomic-level mechanisms by which endogenous substrates, addictive substances, and therapeutic inhibitors differentially regulate DAT conformation re...