Our research is focused on the development of novel computational methods to solve biological problems in the field of medicine. We believe that computational work must be driven to match experimental data.
Everything that living things do can be understood in terms of the jigglings and wigglings of atoms
- Richard Feynman
The TDI
A novel partnership of academic institutions, the Tri-Institutional Therapeutics Discovery Institute links researchers in basic and clinical science with experts in drug discovery from the biotech and pharmaceutical industries, with the goal of more efficiently translating discoveries into therapies for disease. More information can be found on the TDI website.
Research
We use statistical mechanical methods to understand the thermodynamics of binding, with specific application to molecular design tools for developing effective new therapeutics. We also devise methods to probe the surfaces and binding sites of proteins to find druggable targets, by identifying binding hot spots. This work is applied at the Tri-Institutional Therapeutics Discovery Institute, applying rational methods to design small-molecule inhibitors for diseases such as cancer, malaria, and tuberculosis.