Presenter
Lillian Chong, University of Pittsburgh
Lillian Chong, Associate Professor in the Department of Chemistry. Research Overview: Computational Biophysics; Biomolecular simulations Research in the Chong lab involves the development and application of molecular simulation approaches to model a variety of biophysical processes. A summary of some of our research directions is provided below. Weighted ensemble approaches for sampling rare events To enable the efficient simulation of rare events (e.g. protein folding and binding processes), we have been developing approaches based on “weighted ensemble” path sampling, which introduces no bias into the dynamics. Using our high-performance implementation of this approach (WESTPA), we and others have demonstrated that this approach can enhance the efficiency of generating pathways and rate constants for rare events by orders of magnitude...
