Research Interests

I. New multi-scale models, effective potentials, and sampling methods for molecular simulations

II. Protein folding and misfolding: fundamental physics, health-related applications

III. The energy landscape for ligand binding to protein receptors and drug design

IV. Protein stability and the evolution of drug resistance: bioinformatics and biophysics
 

Key Publications

Levy, R.M., M. Karplus, and P.G. Wolynes. NMR Relaxation Parameters in Molecules with Internal Motion: Exact Langevin Trajectory Results Compared with Simplified Relaxation Models. J. Am. Chem. Soc., 103, 5998-6011 (1981).

Levy, R.M. and J. Keepers. Computer Simulations of Protein Dynamics: Theory and Experiment. Comments on Molecular and Cellular Biophysics., 3, 273-295 (1986).

Levy, R.M., L.Y. Zhang, E. Gallicchio, and A.K. Felts. On the Non-Polar Hydration Free Energy of Proteins: Surface Area and Continuum Solvent Models for the Solute-Solvent Interaction Energy. J. Am. Chem. Soc., 125, 9523-9530 (2003).