Computational Studies of Membrane Proteins and Membrane Associated Phenomena
Membrane proteins are of critical importance for all living cells. They are responsible for exchange of materials and information across cellular membranes, and participate in a wide range of metabolic, regulatory, and sensory mechanisms. My research focuses on structure function relationship of membrane proteins, in particular membrane channels and transporters, 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 several membrane proteins 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 of its mechanism of function.
