School of Medicine
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Associate Professor of Computer Science and, by courtesy, of Molecular and Cellular Physiology and of Structural Biology
Current Research and Scholarly Interests My lab’s research focuses on computational biology, with an emphasis on 3D molecular structure. We combine two approaches: (1) Bottom-up: given the basic physics governing atomic interactions, use simulations to predict molecular behavior; (2) Top-down: given experimental data, use machine learning to predict molecular structures and properties. We collaborate closely with experimentalists and apply our methods to the discovery of safer, more effective drugs.