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1983-1990     1991-1993     1994-1996     1997-1999     2000-2002     2003-2005    2006-2008    2009-present

  1. J. Gao, "Calculations of Internal Rotational Barriers of Organic Molecules." Huaxue Tongbao, 1983, (12), 19-22. (Ch.)
  2. W. L. Jorgensen, J. Gao and C. Ravimohan, "Monte Carlo Simulations of Alkanes in Water: Hydration Number and the Hydrophobic Effect." Journal of Physical Chemistry, 1985, 89, 3470-3473.
  3. W. L. Jorgensen and J. Gao, "Monte Carlo Simulations of Hydration of Ammonium and Carboxylate Ions." Journal of Physical Chemistry, 1986, 90, 2174-2182.
  4. J. Gao, D. S. Garner and W. L. Jorgensen, "Ab Initio Studies of Structures and Binding Energies for Anion-Water Complexes." Journal of the American Chemical Society, 1986, 108, 4784-4790.
  5. W. L. Jorgensen, J. M. Briggs and J. Gao, "A Priori Calculations of pKa's for Organic Compounds in Water. The pKa of Ethane." Journal of the American Chemical Society, 1987, 109, 6857-6858.
  6. W. L. Jorgensen and J. Gao, "Cis-Trans Energy Difference for the Peptide Bond in the Gas Phase and in Aqueous Solution." Journal of the American Chemical Society, 1988, 110, 4212-4216.
  7. F. R. Lemke, D. L. DeLaet, J. Gao and C. P. Kubiak, "Photochemical Activation of CO2. Transient Absorbance Kinetic Studies of the Addition of CO2 to a Metal-to-Bridging Ligand Charge-Transfer State of a Binuclear Ni(O) Complex." Journal of the American Chemical Society, 1988, 110, 6904-6906.
  8. J. Gao and W. L. Jorgensen, "Theoretical Examination of Hexanol-Water Interfaces." Journal of Physical Chemistry, 1988, 92, 5813-5822.
  9. W. L. Jorgensen, J. K. Buckner and J. Gao, "Modelling Molecular Transformations in Solution." In Chemical Reactivity in Liquids, Moreau, M. and Turq, P. Eds.; Plenum Press; New York, 1988; pp 253-263.
  10. J. Gao and W. L. Jorgensen, Condensation and Commentary on "Biomimetic Ion Transport: A Functional Model of a Unimolecular Ion Channel" by Carmichael, V. E.; Dutton, P. J.; Flyes, T. M.; James, T. D.; Swan, J. A.; Zojaju, M. J. Am. Chem. Soc. 1989, 111, 767. ChemTracks-Organic Chemistry, 1989, 2, 100-102.
  11. J. Gao and W. L. Jorgensen, Condensation and Commentary on "Structural Requirements for Catalysis by Chorismate Mutase" by Pawlak, J. L.; Padykula, R. E.; Kronis, J. D.; Aleksejczyk, R. A.; Berchtold, G. A. J. Am. Chem. Soc. 1989, 111, 3374. ChemTracks-Organic Chemistry, 1989, 2, 300-302.
  12. J. Gao, K. Kuczera, B. Tidor and M. Karplus, "Hidden Thermodynamics of Mutant Proteins: A Molecular Dynamics Analysis" Science, 1989, 244, 1069-1072.
  13. M. Karplus, R. Elber, J. Gao, K. Kuzcera and B. Tidor, "Simulations of Proteins" In Cytochrome P-450: Biochem. & Biophys. Proc. 6th Intnl. Conf. Taylor & Francis Inc., Philadelphia, 1989; pp 258-265.
  14. M. Karplus, R. Elber, J. Gao, K. Kuzcera and B. Tidor, "Simulations of Proteins" In Highlights of Modern Biochemistry, Kotyk, A.; Skoda, J.; Paces, V. and Kostka, V. Eds.; VSP International Science Publishers: Zeist, Czechoslovakia, 1989; pp 3-10.
  15. K. S. Ratliff, D. L. DeLaet, J. Gao, P. E. Fanwick and C. P. Kubiak, "Roles of Bridging Ligand -Acidity in Determining the Nature of the Lowest Excited States of Binuclear Complexes of Nickel (0). Ligand-Centered (M2 µ-LCT), Metal-Centered (µ-L M2CT), and Intraligand (IL) Lowest Excited States for the Series of Complexes Ni2 (µ-L)(CNMe)2(PPh2CH2PPh2)2 (L = CNR, CNMe(R)+, NO+)." Inorganic Chemistry, 1990, 29, 4022-4027.
  16. J. Gao and M. Karplus, "Theoretical Investigation of the AlC2H4 Complex." Chemical Physics Letters,1990, 169, 410-415.
  17. K. Kuzcera, J. Gao, B. Tidor and M. Karplus, "Free Energy of Sickling: A Simulation Analysis." Proceedings of the National Academy of Sciences, 1990, 87, 8481-8485.
  18. J. Gao and W. L. Jorgensen, Condensation and Commentary on "Enzyme-catalyzed entioconvergent lactonization of -hydroxy diesters in organic solvent" by Gutman ang Bravdo, J. Org. Chem. 1989, 54, 6864. ChemTracks-Organic Chemistry, 1990, 3, 244-246.

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Revised: November 01, 2006.