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The Chong Lab

Department of Chemistry at the University of Pittsburgh

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 WESTPA, a freely available, highly scalable software implementation of weighted ensemble path sampling strategies for the simulation of rare events such as protein folding and protein binding.