Active areas of research include the development of parameters for empirical force field calculations of molecules of biological and pharmaceutical interest and the application of theoretical approaches towards the elucidation of biochemical mechanisms and the rational design of drugs. Specific areas of interest include the structural determinants of DNA, structure-function relationships of opioid analgesics, structure-function relationships of DNA and RNA, DNA-protein interactions, including base flipping by the 5-methyltransferase from HhaI, and Computer-Aided Drug Design studies.

View from the interior of the protein Erk with a bound inhibitor (red) , where the ribbons represent the protein backbone and the mesh represents the protein surface

“Erk-side out, #17”