The research in our group centers around reactivity in solution-phase chemistry and in biophysics. Group members are involved in simulations or analysis of experimental data.
I. Excited-state proton transfer in green fluorescence protein (GFP)
Work aimed at understanding the proton migration pathways in this protein and what they may imply on its functional role. Work in collaboration with Dan Huppert (Tel-Aviv).
II. Proton solvation and proton mobility
Work aimed at understanding the molecular mechanism of proton mobility in water, its connection with the water hydrogen-bond network and its cooperative nature. Work in collaboration with Greg A. Voth (Salt Lake City, Utah).
III. Ligand binding to heme proteins.
Work aimed at understanding the role of protein relaxation on protein action, specifically how various relaxation modes in the distal heme-pocket of myoglobin determine the migration and recombination dynamics of small ligands such as CO. Work in collaboration with Joel M. Friedman (Bronx, NY)
IV. Kinetics of bimolecular reactions in solution.
Work aimed at understanding many body and diffusion effects on bimolecular reactions between many particles diffusing in solution. Accurate Brownian dynamic simulation results are compared with approximate many-body theories in the pseudo-unimolecular target limit. Work in collaboration with Attila Szabo (NIH) and Kook-Joe Shin (Seoul).