Office: CHB 309 Phone: 405-325-0458 Email: jana.khandogin@ou.edu Group webpage: http://ccbweb.chem.ou.edu/

Jana Khandogin Assistant Professor B.S. Bergische Universitaet-GH Wuppertal, Germany 1996 M.Sc. University of Calgary, Canada 1999 Ph.D. University of Minnesota 2003 Postdoctoral research associate, The Scripps Research Institute, 2003-2007

Division: Physical Chemistry

Research Interests: My major research interest is to understand, at the atomic level, how specific interactions and environmental factors control or modulate protein folding, misfolding and aggregation. To achieve this goal, we use an in silico approach that integrates statistical and quantum mechanical theories, physical and chemical models, algorithms and computing architectures.

Teaching: Syllabus for Chem 6670

15. J. Khandogin and C. L. Brooks III, "Linking folding with aggregation in Alzheimer's beta-amyloid peptides", Proc. Natl. Acad. Sci. USA, 2007, 104, 16880-16885.
12. J. Khandogin, Jianhan Chen and C. L. Brooks III, "Exploring atomistic details of pH-dependent peptide folding", Proc. Natl. Acad. Sci. USA, 2006, 103, 18546-18550.
10. J. Khandogin and C. L. Brooks III, "Constant pH molecular dynamics simulation with proton tautomerism", Biophys. J., 2005, 89, 141-157.
8. J. Khandogin, B. A. Gregersen, W. Thiel, and D. M. York, "A smooth solvation method for d-orbital semiempirical calculations of biological reactions I: implementation", J. Phys. Chem. B, 2005, 109, 536-556.
7. J. Khandogin and D. M. York, "Quantum descriptors for biological macromolecules from linear-scaling electronic structure methods", Proteins, 2004, 56, 724-737.
6. J. Khandogin, K. Musier-Forsyth, and D. M. York, "Insights into the regioselectivity and RNA binding affinity of HIV-1 nucleocapsid protein from linear-scaling quantum methods", J. Mol. Biol., 2003, 303, 993-1004.
2. J. Khandogin and T. Ziegler, "Density functional study of nuclear magnetic resonance spin-spin coupling constants", Spectrochim. Acta A, 1999, 55, 607-624 (Invited paper in special issue "Theoretical spectroscopy: State of the Science").