Personal Information
•Grossfield, A. Implicit modeling of membranes, in “Computational Modeling of Membranes”, ed Scott Feller, Current Topics in Membranes 2008, 60, 131-157
•Grossfield, A., Pitman, M. C., Feller, S. E., Soubias, O., and Gawrisch, K. Internal Hydration Increases during Activation of the G-Protein-Coupled Receptor Rhodopsin, J. Mol. Biol. 2008, 381, 478-486 pdf
•Lau, P.-W., Grossfield, A., Feller, S. E., Pitman, M. C., Brown, M. F. Dynamic structure of retinal inverse agonist of rhodopsin probed by molecular dynamics, J. Mol. Biol. 2007, 372, 906-917 pdf
•O'Neil, L. L., Grossfield, A., Wiest, O. Computational Investigation of the Base Flipping of the Thymine Dimer in Duplex DNA, J. Phys. Chem. B, 2007, 111, 11843-11849 pdf
•Grossfield, A., Feller, S. E., Pitman, M. C. Convergence of molecular dynamics simulations of membrane proteins, Proteins: Struc. Func. Bioinf., 2007, 67, 31-40 pdf
•Martnez-Mayorga, K., Pitman, M. C., Grossfield, A., Feller, S. E., and Brown, M. F. Retinal counterion switch mechanism in vision evaluated by molecular simulation, J. Am. Chem. Soc., 2006, 128, 16502-16503 pdf
•Jiao, D., King, C., Grossfield, A., Darden T. A., Ren, P. Simulation of Ca2+ and Mg2+ solvation using Polarizable Atomic Multipole Potential, J. Phys. Chem. B, 2006, 110, 18553-18559 pdf
•Grossfield, A., Feller, S. E., Pitman, M. C.. Contribution of omega-3 fatty acids to the thermodynamics of membrane protein solvation, J. Phys. Chem. B, 2006, 110, 8907-8909 pdf
•Grossfield, A., Feller, S. E., Pitman, M. C., A role for direct interactions in the modulation of rhodopsin by omega-3 polyunsaturated lipids, Proc. Nat. Acad. Sci. USA, 2006, 103, 4888-4893 pdf
•Pitman, M. C., Grossfield, A., Suits, F. and Feller, S. E., Role of cholesterol and polyunsaturated lipids in lipid-protein interaction: molecular dynamics simulations of rhodopsin in a realistic membrane environment, J. Am. Chem. Soc., 2005, 127, 4576-4577 pdf
Selected Papers
Dr. Alan Grossfield
Department of Biochemistry
and Biophysics, Box 712
University of Rochester Medical Center
Rochester, NY 14642
Phone: 585-276-4193
Fax: 585-275-6007
alan_grossfield [at] urmc.rochester.edu