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Kalju Kahn

Affiliations: 
Chemistry University of California, Santa Barbara, Santa Barbara, CA, United States 
Area:
Chemical Education, Biochemistry
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"Kalju Kahn"
Mean distance: 39813
 
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Kahn K, Kahn I. (2008) Improved efficiency of focal point conformational analysis with truncated correlation consistent basis sets. Journal of Computational Chemistry. 29: 900-11
Kahn K, Granovsky AA, Noga J. (2007) Convergence of third order correlation energy in atoms and molecules. Journal of Computational Chemistry. 28: 547-54
Kahn K, Bruice TC. (2005) Focal-point conformational analysis of ethanol, propanol, and isopropanol. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 6: 487-95
Mazumder-Shivakumar D, Kahn K, Bruice TC. (2004) Computational study of the ground state of thermophilic indole glycerol phosphate synthase: structural alterations at the active site with temperature. Journal of the American Chemical Society. 126: 5936-7
Kahn K, Bruice TC. (2004) Systematic convergence of energies with respect to basis set and treatment of electron correlation: Focal-point conformational analysis of methanol Theoretical Chemistry Accounts. 111: 18-24
Mazumder D, Kahn K, Bruice TC. (2003) Computational study of ketosteroid isomerase: insights from molecular dynamics simulation of enzyme bound substrate and intermediate. Journal of the American Chemical Society. 125: 7553-61
Reddy SY, Kahn K, Zheng YJ, et al. (2002) Protein engineering of nitrile hydratase activity of papain: molecular dynamics study of a mutant and wild-type enzyme. Journal of the American Chemical Society. 124: 12979-90
Mazumder D, Kahn K, Bruice TC. (2002) Computer simulations of trypanosomal nucleoside hydrolase: determination of the protonation state of the bound transition-state analogue. Journal of the American Chemical Society. 124: 8825-33
Kahn K, Bruice TC. (2002) Parameterization of OPLS-AA force field for the conformational analysis of macrocyclic polyketides. Journal of Computational Chemistry. 23: 977-96
Kahn K, Bruice TC. (2001) Diphtheria toxin catalyzed hydrolysis of NAD(+): molecular dynamics study of enzyme-bound substrate, transition state, and inhibitor. Journal of the American Chemical Society. 123: 11960-9
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