Jerry M. Parks

Department of Chemistry
Duke University
jerry.parks@duke.edu

Personal
I am a graduate student in the Department of Chemistry at Duke University where I am a member of Weitao Yang's research group. My research involves using QM/MM free energy calculations to solve chemical problems relating to enzymes. Currently, I am working on determining the mechanism of Cdc25B, a so-called dual-specificity phosphatase enzyme important in regulating the cell cycle.

Education
    Ph.D., Duke University, 2001 -
    M.S., Southern Methodist University, 2001
    B.S., Texas Christian University, 1999

Publication(s)
Parks, J. M. ; Hu, H.; Kondru, R. K.; Beratan, D. B. and Yang, W. "Hepatitis C virus NS5b polymerase: QM/MM calculations show the important roles of the internal energy and van der Waals interactions in ligand binding" J. Phys. Chem. B, submitted.

Hu, H.; Lu, Z.; Parks, J. M. ; Burger, S. K.; Yang, W. "QM/MM Minimum Free Energy Path for accurate reaction energetics in solution and enzymes: Sequential sampling and optimization on the potential of mean force surface" J. Chem. Phys. 2007, accepted.

Sohn, J.; Parks, J. M. ; Buhrman, G.; Brown, P.; Kristjansdottir, K.; Safi, A.; Edelsbrunner, H.; Yang, W. and Rudolph, J. "Experimental Validation of the Docking Orientation of Cdc25 with its Cdk2/CycA Protein Substrate" Biochemistry 2005, 44, 16563-16573.

Parks, J. M.; Ford, G. P. and Cramer, C. J. "Quantum Chemical Characterization of the Reactions of Guanine with the Phenylnitrenium Ion" J. Org. Chem. 2001, 66, 8997.