Tri-Institutional PhD Program in Chemical Biology

How Many Crystal Structures Do You Need to Trust Your Docking Results?

Abstract Structure-based drug discovery relies on the prediction of protein-bound poses of new molecule designs, the accuracy of which can impact downstream prioritization. While it is expected that crystal structures of similar molecules would provide the best template for predi...

Configurational diversity of metabotropic glutamate receptor complexes with beta-arrestins

Beta-arrestins (β-arrs) are cytosolic proteins which mediate G protein-coupled receptor (GPCR) desensitization, endocytosis, and signaling. Despite the widespread physiological roles of β-arr coupling, the molecular basis of GPCR/β-arr interaction has been studied primarily in mo...