Gilson, Michael
The physical basis of drug design and development of computational methods

Contact Information
Professor and Chair in Computer-Aided Drug Design

Office: Skaggs/Pharmaceutical Sci Bldg 3224
Phone: 858-822-0622
1989 Ph.D., Biochemistry and Molecular Biophysics, Columbia University
1988 M.D., Columbia University
1981 A.B., Bioengineering, Harvard College
2010 Professor, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego
2001 Professor, University of Maryland Biotechnology Institute
2000 Associate Professor, University of Maryland Biotechnology Institute
1994 Research Chemist, National Institute of Standards and Technology
1994 Adjunct Assistant Professor, Center for Advanced Research in Biotechnology, U. Maryland Biotechnology Institute
Research Interests
We use theoretical, computational and informatics approaches to gain a deeper understanding of the physical chemistry of molecular recognition and protein mechanisms, and to advance methods for computer-aided drug design. We also collaborate with experimental groups on applied projects in drug discovery and molecular design, and we do experiments to test and improve computational prediction methods.
Interdisciplinary interests
Computational and Theoretical
Macromolecular Structure

Image Gallery

Map of solute-water interaction energy in and around the synthetic host molecule cucurbit-7-uril, computed by applying our Grid Inhomogeneous Solvation Theory (GIST) method to simulation data.

Snapshot of HIV-1 protease with bound inhibitor, taken from ~20 microsecond simulation.

Diagram of ligand-protein molecular recognition.