Dr. Michael K. Gilson

Michael K. Gilson, M.D., Ph.D. is Professor and Chair in Computer-Aided Drug Design at the Skaggs School of Pharmacy and Pharmaceutical Sciences. His research interests center on the physical basis of structure-based drug design and the development of new computational and informatics tools.

He is also co-director of UCSD's Center for Drug Discovery Innovation, which helps UCSD researchers to advance projects aimed at developing new therapeutics, and fosters scientific and technological innovation at all stages of the drug discovery process.

About the Lab

We use theoretical, computational and informatic approaches to advance methods for computer-aided drug design. We also collaborate with experimental groups on applied projects. 

More about our research

Photo shows current and former lab members, significant others, and potential future lab members at our annual January party.

Links and Papers

Figure shows regions of high (yellow) and low (purple) water energy density in the active site of the enzyme coagulation factor Xa. Computed with GIST and rendered with VMD.

  • Grid Inhomogeneous Solvation Theory (GIST) released as part of cpptraj in the open-source AmberTools 14 software suite. (April 2014).
  • Paper describing application of GIST to the drug-target Factor Xa (April 2014).
  • Paper about the role of motional correlations in entropies of binding and conformational change (April 2014).
  • Advanced Search capabilities added to BindingDB (April 2014).