
Donald Weaver
Dr. Weaver's research interests are focused on computer-aided drug design and medicinal chemistry with particular applications to chronic neurodegenerative disorders. His general approach employs a variety of theoretical chemistry techniques (molecular quantum mechanics [ab initio and density functional theory], force field calculations, molecular dynamics simulations) to design small molecules capable of binding to designated receptor sites; these small molecules are drug-like new chemical entities. The molecules are then synthesized using synthetic organic chemistry methods, and then evaluated to enable an iterative process of compound optimization driven by quantitative structure-activity relationship calculations.
Sign up for the Live Science daily newsletter now
Get the world’s most fascinating discoveries delivered straight to your inbox.