Our research is focused on the use of molecular simulations to characterize the pathways and kinetics of long-timescale biological processes, including coupled protein folding and binding processes. We have also been developing simulation strategies for aiding the design of protein-based conformational switches. Finally, we are developers of the AMBER ff15ipq force field and https://westpa.github.io/westpa/, a freely available, highly scalable software implementation of weighted ensemble path sampling strategies for the simulation of rare events (e.g. protein folding and protein binding).

 

The Chong Lab

Department of Chemistry at the University of Pittsburgh