Our laboratory studies how protein structure determines protein function and how protein structure can be used as a template to design new ligands to modulate that function. We focus on three aspects of this question:
- Development and testing of molecular docking algorithms for modeling structure and for inhibitor discovery.
- Structure-based design of novel inhibitors of the antibiotic resistance enzyme β-lactamase.
- Understanding how the stability of a protein modulates its function and constrains its evolution.