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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:

  1. Development and testing of molecular docking algorithms for modeling structure and for inhibitor discovery.
  2. Structure-based design of novel inhibitors of the antibiotic resistance enzyme β-lactamase.
  3. Understanding how the stability of a protein modulates its function and constrains its evolution.

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United States 

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