Through computational analysis of molecular structures, we seek to understand how proteins fold, recognize, and bind to other molecules. This knowledge is used for modeling protein structures and designing inhibitors, in collaboration with computer scientists, chemists, molecular biologists, and physicians. Our focus is on decoding the factors contributing to the specificity of protein-ligand interactions, enabling the development of new approaches for modeling protein flexibility and performing high-throughput screening for inhibitor discovery.

-- Leslie A. Kuhn, PI