Kahn Publications

  1. Kahn, K.; Tipton, P. A. Kinetic mechanism and cofactor content of soybean root nodule urate oxidase.
    Biochemistry
    1997, 36, 4731-4738. ABSTRACT
  2. Kahn, K.; Serfozo, P.; Tipton, P. A. Identification of the true product of the urate oxidase reaction.
    J. Am. Chem. Soc.
    1997, 119, 5435-5442. ABSTRACT
  3. Kahn, K.; Tipton, P. A. Spectroscopic characterization of intermediates in the urate oxidase reaction.
    Biochemistry 1998, 37, 11651-11659. ABSTRACT
  4. Kahn, K. Theoretical study of intermediates in the urate oxidase reaction.
    Bioorg. Chem. 1999, 27, 351-362. ABSTRACT
  5. Sarma, A. D.; Serfozo, P.; Kahn, K.; Tipton, P. A. Identification and purification of hydroxyisourate hydroxylase, a novel ureide-metabolizing enzyme.
    J. Biol. Chem. 1999, 274, 33863-23865. ABSTRACT
  6. Luo, J.; Kahn, K.; Bruice, T. C. The linear dependence of log(kcat /Km ) for reduction of NAD+ by PhCH2OH on the distance between reactants when catalyzed by horse liver alcohol dehydrogenase and 203 single point mutants.
    Bioorg. Chem. 1999, 27, 289-296. ABSTRACT
  7. Kahn, K.; Tipton, P. A. Kinetics and mechanism of allantoin racemization.
    Bioorg. Chem. 2000, 28, 62-72. ABSTRACT
  8. Kahn, K.; Bruice, T. C. Transition state and ground state structures and their interaction with the active site residues in catechol O-methyltransferase.
    J. Am. Chem. Soc. 2000, 122, 46-51. ABSTRACT
  9. Kahn, K.; Bruice, T. C. Alpha-ketoamides and alpha-ketocarbonyls: Conformational analysis and development of all-atom OPLS force field.
    Bioorg. Med. Chem. 2000, 8, 1881-1891. ABSTRACT
  10. Lau, E. Y.; Kahn, K.; Bash, P. A.; Bruice, T. C. The importance of reactant positioning in enzyme catalysis: A hybrid quantum mechanics/molecular mechanics study of a haloalkane dehydrogenase.
    Proc. Natl. Acad. Sci. USA 2000, 97, 9937-9942. ABSTRACT
  11. Bruice, T. C.; Kahn, K. Computational enzymology.
    Curr. Opin. Chem. Biol. 2000, 4, 540-544. ABSTRACT
  12. Kahn, K.; Bruice, T. C. Diphtheria toxin catalyzed hydrolysis of NAD+: Molecular dynamics study of enzyme bound substrate, transition state, and inhibitor.
    J. Am. Chem. Soc. 2001, 123, 11960-11969. ABSTRACT
  13. Kahn, K.; Bruice, T. C. Parametrization of OPLS-AA force field for the conformational analysis of macrocyclic polyketides.
    J. Comput. Chem. 2002, 23, 977-996. ABSTRACT
  14. Mazumder, D.; Kahn, K.; Bruice, T. C. Computer simulations of trypanosomal nucleoside hydrolase: Determination of the protonation state of the bound transition-state analogue.
    J. Am. Chem. Soc. 2002, 124, 8825-8833. ABSTRACT
  15. Reddy, S. Y.; Kahn, K.; Zheng, Y.-J.; Bruice, T. C. Protein engineering of nitrile hydratase activity of papain: Molecular dynamics study of a mutant and wild-type enzyme.
    J. Am. Chem. Soc. 2002, 124, 12979-12990. ABSTRACT
  16. Hur, S.; Kahn, K.; Bruice, T. C. Comparison of formation of reactive conformers for the SN2 displacements by CH3CO2- in water and by Asp124-CO2- in a haloalkane dehalogenase.
    Proc. Natl. Acad. Sci. USA 2003, 100, 2215-2219. ABSTRACT
  17. Mazumder, D.; Kahn, K.; Bruice, T. C. Computational study of ketosteroid isomerase: Insights from molecular dynamics simulation of enzyme bound substrate and intermediate.
    J. Am. Chem. Soc. 2003, 125, 7553-7561. ABSTRACT
  18. Kahn, K.; Bruice, T. C. Comparison of reaction energetics and leaving group interactions during the enzyme-catalyzed and uncatalyzed displacement of chloride from haloalkanes.
    J. Phys. Chem. B 2003, 107, 6876-6885. ABSTRACT
  19. Kahn, K.; Bruice, T. C. Systematic convergence of energies with respect to basis set and treatment of electron correlation: focal point conformational analysis of methanol.
    Theor. Chem. Acc. 2004, 111, 18-24. ABSTRACT
  20. Mazumder-Shivakumar, D.; Kahn, K.; Bruice, T. C. Computational study of the ground state of thermophilic indole glycerol phosphate synthase: Structural alterations at the active site with temperature.
    J. Am. Chem. Soc. 2004, 126, 5936-5937. ABSTRACT
  21. Kahn, K.; Bruice, T. C. Focal point conformational analysis of ethanol, propanol, and isopropanol.
    ChemPhysChem 2005, 6, 487-495. ABSTRACT
  22. Kahn, K.; Granovsky, A. A.; Noga, J. Convergence of third order correlation energy in atoms and molecules.
    J. Comput. Chem. 2007, 28, 547-554. ABSTRACT

This document was last updated on Sept 22, 2007