Thomas Kurtzman

Assistant Professor
Phone: 718 – 960- 8832
Office: New Science Hall S-1409
Email: thomas.kurtzman@lehman.cuny.edu

Young Group Homepage

Degrees

  • B.S., University of California, Santa Cruz, 1994
  • Ph.D., Stanford University, 2002

Research Synopsis

MyPictureThe research in Professor Young’s group focuses on applying statistical mechanical methods and computer simulations to explore the solvation of complex biological surfaces and understand the relevance of this solvation to biological processes. In particular, his group studies systems that can shed light on the physical principles that govern the recognition of small molecule ligands with proteins. The fundamental aim of his research is to develop computational methodologies and analytic tools that can be used to aid the rational discovery and design of new drugs.

  • Young,T.; Hua, L.; Huang, X.; Abel, R.; Friesner, R.A.; Berne, B.J.,  Dewetting transitions in protein cavities, Proteins: Structure, Function, and Bioinformatics, 2010, 78(8),  1856-1869
  •  Young, T.; Abel, R.; Kim, B.; Berne, B. J.; Friesner, R. A., Motifs for molecular recognition exploiting hydrophobic enclosure in protein-ligand binding, Proc. Natl. Acad. Sci. USA. 2007, 104, 808-813.
  • Young T.; Abel, R.; Berne, B.J.; Friesner, R.A., U.S. Patent 7,756,674: “Methods of calculating differences of binding affinities between congeneric pairs of ligands by way of a displaced solvent functional”  
  • Abel, R.; Young,T. ; Farid, R. ; Berne, B. ; Friesner, R.A., Role of the Active-Site Solvent in the Thermodynamics of Factor Xa Ligand Binding; J. Am. Chem. Soc. 2008, 130 (9), 2817 -2831.
  • Young T.; Abel, R.; Berne, B.J.; Friesner, R.A., U.S. Patent 7,756,674: “Methods of calculating differences of binding affinities between congeneric pairs of ligands by way of a displaced solvent functional”  
  • Byungchan Kim, Tom Young, Edward Harder, Richard A. Friesner and B.J. Berne, (2005)  Structure and Dynamics of the Solvation of Bovine Pancreatic Trypsin Inhibitor in Explicit Water: A comparative Study of the Effects of Solvent and Protein Polarizability, Journal of Physical Chemistry B, 109,  pp. 16529-16538
  • Thomas Young and Hans C. Andersen, (2005) , Tests of an Approximate Scaling Principle for Dynamics in Classical Fluids}, Journal of Physical Chemistry B,  109, pp. 2985-2994
  • Thomas Young and Hans C. Andersen, (2002),  A scaling principle for the dynamics of density fluctuations in atomic liquids, Journal of Chemical Physics,  118(8),  pp. 3447-3550
  • Steven J. Pitts, Thomas Young, and Hans C. Andersen, (2000),  Facilitated spin models, mode coupling theory, and ergodic-nonergodic transitions, Journal of Chemical Physics,113(19) pp. 8671-8679.

Last modified: Mar 12, 2014