The goal of the Laboratory of Computational and Molecular Biochemistry (LCMB) is to understand how enzymes, involved in human diseases, interact with their respective substrates and inhibitors.  These interactions are revealed through collaborative structural studies, and in silico modeling and computational analysis of wild-type and mutant enzymes and their interactions with substrates and inhibitors.  The in silico results drive the design of novel in vitro enzyme assays and the generation of mutant enzymes, modified substrates, and more potent inhibitors.  These approaches are all focused on defining how an enzyme interacts with substrate and inhibitor.  These studies are used for the design of more efficacious inhibitors for the treatment of human diseases, including cancer and viral infections.