We are interested in computer simulations of protein conformational changes, protein-protein interactions, protein-membrane interactions, and protein-small molecule interactions as well as structure-based drug design. In recent years, our main focus is protein folding, misfolding, and aggregation. We also develop new methodologies for locating protein folding pathways by combining graph theoretic-approaches with reaction-path algorithms.
We are actively recruiting graduate students. If you have strong background in chemistry/physics and are interested in solving biophysical problems, please contact the PI.