A. Mac Sweeney

This study identifies small molecule inhibitors that bind to apo-TDO2 and inhibits its activity at low nanomolar concentrations, along with their co-crystal structures.

This study identifies 29 fragment hits against SARS-CoV-2 main protease using X-ray crystallography, including two covalent binders, and shows crystal form affects fragment binding poses.

This study identifies novel SARS-CoV-2 Mpro inhibitors using deep reinforcement learning and computational chemistry methods, showing potent inhibitory activity with IC50 values between 1.3 and 2.3 uM.