Physics and Astronomy Biochemistry Dalton Cardiovascular Research Center Informatics Institute |
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About US We are developing computational methods to calculate binding free energies for ligand-receptor complexes. The derived energy models are applied to protein-substrate interactions, protein-protein interactions, and structure-based drug design. We are also developing new docking algorithms to account for protein flexibility. Methods used in our laboratory include computer modeling, simulation and graphics display. Additional application includes modeling of structure-function relationship of membrane proteins. |
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