1. Mike Gilson Research Interests Computer-aided drug design (CADD) Physical chemistry of molecular recognition Model systems to drive improvement of CADD methods Chemical informatics and medicinal chemistry databases How molecular motors work Computer modeling in support of chemical and drug design Polymer delivery systems Catalysts Small molecule drugs

2. Core Expertise Physical chemistry, esp. statistical thermodynamics Medicine Atomistic molecular simulations Chemical databases Host-guest systems Structure-based protein-ligand modeling

3. Proposed Collaborations with SSPPS Faculty With Dio Siegel Design of modular host-guest systems with substitution sites that allow attachment of a variety of chemical groups, as a basis for testing and improving methods of simulating binding. With Dio Siegel and Pieter Dorrestein Random synthesis to create new compounds and synthetic pathways, using mass spec as a key analytic readout Other PIs Computational input to structure-based drug- and ligand-design projects Scientific discussions and entirely new directions!