Department of Chemistry,
University of California, Riverside
Dr. Chang’s group is working on understanding the fundamental mechanisms of molecular recognition and binding kinetics using theory and classical mechanical models. Our research involves the development and application of computational methods and theoretical models to address medically and chemically important problems.
Experiments provide measurements. However, many dynamic behavior and transient processes such as ligand-receptor binding/unbinding are not directly available from experiments but crucial in molecular recognition and design. Computational methods bridge the gaps. In addition to applying simulation packages, our group has been developing various multi-scale computational tools, such as our GeomBD program to investigate multi-enzyme and biosensor systems, and the eBGDD program to predict drug binding kinetics and design compounds with preferred binding kinetics. These methods are of practical importance in studying biomolecular function, and in the design of new enzymes, enzyme complexes, biosensors and chemical compounds. In collaboration with experimentalists, systems of particular interest include existing or potential drug targets such as protein kinases and amyloid beta peptides, biosynthesis complexes such as proteins in tryptophan and ethyl acetate biosynthesis, chemical host-guest systems, and biosensors in detecting pathogenic DNA.
Publications - please see the list in our group page: http://chemcha-gpu0.ucr.edu/publications/