Research - Computation & Theory

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Computation & Theory

	Mario Amzel Professor Structure and mechanism of proteins involved in redox or phosphoryl transfer reactions, such as FPPS, MICAL, and Pl3K-alpha. Many of these proteins studied are targets for drug design.		Greg Chirikjian Professor Computational mechanics of large proteins, conformational statistics of biological macromolecules, applied mathematics
	Bertrand García-Moreno Professor Experimental and computational studies of protein electrostatics, structure-based energy calculations, ligand-driven conformational transition		Jeff Gray Associate Professor Biomolecular modeling, protein-protein docking, protein-surface interactions, allostery, biomineralization
	David Shortle Professor Protein folding and stability, NMR analysis of denatured protein, preduction of protein structure from sequence		Tom Woolf Professor Computational biophysics of membrane systems, membrane proteins, and protein:lipid interactions; development of new methods for relative free energy and conformational transitions, computational analysis of ligand binding

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