My research focuses on structure function relationship of biomolecular processes, in particular biological membranes and membrane proteins, and understanding the mechanism of their function using simulation and computational methodologies. Recent advances in structural determination of membrane proteins have resulted in high resolution structures of a large number of biological systems that we can use in simulation studies to understand how the architecture of the protein, and specific interactions and dynamics of its building blocks provide the basis for its molecular mechanism. My group is involved in development of computational methodologies and their application to diverse biomolecular systems in close collaboration with leading experimental groups.