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.
We are grateful to the NIH National Institute of General Medical Sciences for financial support.
We also thank MDL Information Systems
and OpenEye Scientific Software
for providing us with databases and software,
and Proterion for partial support
of a DynaPro MS/X DLS instrument.
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