B.S., Yale University, 1967 Ph.D., UCLA, 1971 Postdoctoral Fellow, MIT

Theoretical Chemistry/Physical Chemistry

The Keyes Group pursues theoretical and computational biophysical chemistry. Collaborators include Professor Keyes’ postdoctoral advisor, Prof. Irwin Oppenheim (MIT), who visits every Thursday. Some current projects are:

Creating replica exchange STMD for CHARMM and applying it to computationally challenging systems (application to checkpoint kinase with Alvaro Monteiro, University of South Florida). Energy landscape theory of chaperonin-assisted protein folding. Developing and applying the POLIR potential for aqueous spectroscopy and solvation (with Christian Burnham, University of Houston). Describing proteins, viruses and other nanostructures with coarse-grained, multiscale equations of motion (with Peter Ortoleva, Center for Cell and Virus Theory, Indiana University). Developing the idea that classical “electrostatic bonds” based on polarization energy can treat some ligand-protein formerly considered to require quantum mechanics.