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Kalju Kahn

https://etis.ee/CV/Kalju_Kahn/est
9.01.1970
805-893-6157
kalju@chem.ucsb.edu

Teenistuskäik

Töökohad ja ametid
01.01.2008–...   
Kalifornia Ülikool Santa Barbaras, Keemia ja biokeemia osakond, lektor (tenured)
2008–31.12.2008   
Tallinna Tehnikaülikool, Matemaatika-loodusteaduskond, Keemiainstituut, Molekulaartehnoloogia õppetool, sihtfinantseeritava teadusteema täitja (1,00)
01.01.2006–31.12.2008   
Kalifornia Ülikool Santa Barbaras, Keemia ja biokeemia osakond, lektor
01.01.2001–31.12.2006   
Kalifornia Ülikool Santa Barbaras, Keemia ja biokeemia osakond, lektor ja teadur
01.01.2001–31.12.2003   
Kalifornia Ülikool Santa Barbaras, Keemia ja biokeemia osakond, teadur
01.01.1998–31.12.2001   
Kalifornia Ülikool Santa Barbaras, Keemia ja biokeemia osakond, teadur
 
 
Haridustee
1994–1998   
Missouri Ülikool, Biokeemia osakond
1988–1994   
Tartu Ülikool, füüsika-keemia teaduskond, keemilise füüsika instituut, teoreetilise keemia õppetool

Kvalifikatsioon

Teaduskraadid
Kalju Kahn, doktorikraad, 1998, (juh) Peter A. Tipton, Kinetic and mechanistic characterization of the urate oxidase reaction. (Uraatoküdaasi reaktsiooni kineetika ja mehhanism.), Missouri Ülikool Columbias, Biokeemia osakond.
Kalju Kahn, magistrikraad (teaduskraad), 1994, (juh) Mati Karelson, Poly-(N-ethyl-4-vinylpyridine): synthesis and complexes with DNA (Poly-(N-ethyl-4-vinylpyridine): süntees ja kompleksid DNA-ga), Tartu Ülikool, Füüsika-keemiateaduskond, Keemilise füüsika instituut.

Publikatsioonid

Klass
Aasta
Publikatsioon
 
1.1.
2008
Kahn, K.; Kahn, I. (2008). Improved Efficiency of Focal Point Conformational Analysis with Truncated Correlation Consistent Basis Sets. Journal of Computational Chemistry, 29, 900−911.
1.1.
2007
Kahn, K.; Granovsky, A. A.; Noga, J. (2007). Convergence of third order correlation energy in atoms and molecules. Journal of Computational Chemistry, 28 (2), 547−554.
1.1.
2005
Kahn, K.; Bruice, T. C. (2005). Focal point conformational analysis of ethanol, propanol, and isopropanol. ChemPhysChem, 6 (3), 487−495.
1.1.
2004
Mazumder-Shivakumar, D.; Kahn, K.; Bruice, T. C. (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 (19), 5936−5937.
1.1.
2004
Kahn, K.; Bruice, T. C. (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 (1), 18−24.
1.1.
2003
Kahn, K.; Bruice, T. C. (2003). Comparison of reaction energetics and leaving group interactions during the enzyme-catalyzed and uncatalyzed displacement of chloride from haloalkanes. The Journal of Physical Chemistry B, 107 (28), 6876−6885.
1.1.
2003
Mazumder, D.; Kahn, K.; Bruice, T. C. (2003). Computational study of ketosteroid isomerase: Insights from molecular dynamics simulation of enzyme bound substrate and intermediate. Journal of the American Chemical Society, 125 (25), 7553−7561.
1.1.
2003
Hur, S.; Kahn, K.; Bruice, T. C. (2003). Comparison of formation of reactive conformers for the SN2 displacements by CH3CO2- in water and by Asp124-CO2- in a haloalkane dehalogenase. Proceedings of the National Academy of Sciences of the United States of America, 100 (5), 2215−2219.
1.1.
2002
Kahn, K.; Bruice, T. C. (2002). Parameterization of OPLS–AA force field for the conformational analysis of macrocyclic polyketides. Journal of Computational Chemistry, 23 (10), 977−996.
1.1.
2002
Reddy, S. Y.; Kahn, K.; Zheng, Y.-J.; Bruice, T. C. (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 (44), 12979−12990.
1.1.
2002
Mazumder, D.; Kahn, K.; Bruice, T. C. (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 (30), 8825−8833.
1.1.
2001
Kahn, K.; Bruice, T. C. (2001). Diphteria toxin catalyzed hydrolysis of NAD+ : molecular dynamics study of enzyme-bound substrate, transition state, and inhibitor. Journal of the American Chemical Society, 123 (48), 11960−11969.
1.1.
2000
Bruice, T. C.; Kahn, K. (2000). Computational enzymology. Current Opinion in Chemical Biology, 4 (5), 540−544.
1.1.
2000
Lau, E. Y.; Kahn, K.; Bash, P. A.; Bruice, T. C. (2000). The importance of reactant positioning in enzyme catalysis: A hybrid quantum mechanics/molecular mechanics study of a haloalkane dehydrogenase. Proceedings of the National Academy of Sciences of the United States of America, 97 (18), 9937−9942.
1.1.
2000
Kahn, K.; Bruice, T. C. (2000). alpha-Ketoamides and alpha-ketocarbonyls: Conformational analysis and development of all-atom OPLS force field. Bioorganic & Medicinal Chemistry, 8 (8), 1881−1891.
1.1.
2000
Kahn, K.; Bruice, T. C. (2000). Transition state and ground state structures and their interaction with the active site residues in catechol O–methyltransferase. Journal of the American Chemical Society, 122 (1), 46−51.
1.1.
2000
Kahn, K.; Tipton, P. A. (2000). Kinetics and mechanism of allantoin racemization. Bioorganic Chemistry, 28 (2), 62−72.
1.1.
1999
Luo, J.; Kahn, K.; Bruice, T. C. (1999). 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. Bioorganic Chemistry, 27 (4), 289−296.
1.1.
1999
Sarma, A. D.; Serfozo, P.; Kahn, K.; Tipton, P. A. (1999). Identification and purification of hydroxyisourate hydroxylase, a novel ureide-metabolizing enzyme. Journal of Biological Chemistry, 274 (48), 33863−33865.
1.1.
1999
Kahn, K. (1999). Theoretical study of intermediates in the urate oxidase reaction. Bioorganic Chemistry, 27 (5), 351−362.
1.1.
1998
Kahn, K.; Tipton, P. A. (1998). Spectroscopic characterization of intermediates in the urate oxidase reaction. Biochemistry, 37 (33), 11651−11659.
1.1.
1997
Kahn, K.; Serfozo, P.; Tipton, P. A. (1997). Identification of the true product of the urate oxidase reaction. Journal of the American Chemical Society, 119 (23), 5435−5442.
1.1.
1997
Kahn, K.; Tipton, P. A. (1997). Kinetic mechanism and cofactor content of soybean root nodule urate oxidase. Biochemistry, 36 (16), 4731−4738.
28.02.2021

Kalju Kahn

https://etis.ee/CV/Kalju_Kahn/eng
9.01.1970
805-893-6157
kalju@chem.ucsb.edu

Career

Institutions and positions
01.01.2008–...   
University of California, Santa Barbara, Department of Chemistry and Biochemistry, Lecturer with Security of Employment
2008–31.12.2008   
Tallinn University of Technology , Faculty of Science, Department of Chemistry, Chair of Molecular Technology, Other staff (1,00)
01.01.2006–31.12.2008   
University of California Santa Barbara, Department of Chemistry and Biochemistry, Lecturer with Potential Security of Employment
01.01.2001–31.12.2006   
University of California Santa Barbara, Department of Chemistry and Biochemistry, Temporary Lecturer and Researcher
01.01.2001–31.12.2003   
University of California Santa Barbara, Department of Chemistry and Biochemistry, Assistant Research Chemist
01.01.1998–31.12.2001   
University of California Santa Barbara, Department of Chemistry and Biochemistry, Postdoctoral Researcher
 
 
Education
1994–1998   
University of Missoury - Columbia, Department of Biochemistry
1988–1994   
University of Tartu, Department of Physics and Chemistry

Qualifications

Academic degrees
Kalju Kahn, Doctor's Degree, 1998, (sup) Peter A. Tipton, Kinetic and mechanistic characterization of the urate oxidase reaction., University of Missouri–Columbia, Department of Biochemistry.
Kalju Kahn, Research Master's Degree, 1994, (sup) Mati Karelson, Poly-(N-ethyl-4-vinylpyridine): synthesis and complexes with DNA, University of Tartu, Faculty of Physics and Chemistry, Institute of Chemical Physics.

Publications

Category
Year
Publication
 
1.1.
2008
Kahn, K.; Kahn, I. (2008). Improved Efficiency of Focal Point Conformational Analysis with Truncated Correlation Consistent Basis Sets. Journal of Computational Chemistry, 29, 900−911.
1.1.
2007
Kahn, K.; Granovsky, A. A.; Noga, J. (2007). Convergence of third order correlation energy in atoms and molecules. Journal of Computational Chemistry, 28 (2), 547−554.
1.1.
2005
Kahn, K.; Bruice, T. C. (2005). Focal point conformational analysis of ethanol, propanol, and isopropanol. ChemPhysChem, 6 (3), 487−495.
1.1.
2004
Mazumder-Shivakumar, D.; Kahn, K.; Bruice, T. C. (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 (19), 5936−5937.
1.1.
2004
Kahn, K.; Bruice, T. C. (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 (1), 18−24.
1.1.
2003
Kahn, K.; Bruice, T. C. (2003). Comparison of reaction energetics and leaving group interactions during the enzyme-catalyzed and uncatalyzed displacement of chloride from haloalkanes. The Journal of Physical Chemistry B, 107 (28), 6876−6885.
1.1.
2003
Mazumder, D.; Kahn, K.; Bruice, T. C. (2003). Computational study of ketosteroid isomerase: Insights from molecular dynamics simulation of enzyme bound substrate and intermediate. Journal of the American Chemical Society, 125 (25), 7553−7561.
1.1.
2003
Hur, S.; Kahn, K.; Bruice, T. C. (2003). Comparison of formation of reactive conformers for the SN2 displacements by CH3CO2- in water and by Asp124-CO2- in a haloalkane dehalogenase. Proceedings of the National Academy of Sciences of the United States of America, 100 (5), 2215−2219.
1.1.
2002
Kahn, K.; Bruice, T. C. (2002). Parameterization of OPLS–AA force field for the conformational analysis of macrocyclic polyketides. Journal of Computational Chemistry, 23 (10), 977−996.
1.1.
2002
Reddy, S. Y.; Kahn, K.; Zheng, Y.-J.; Bruice, T. C. (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 (44), 12979−12990.
1.1.
2002
Mazumder, D.; Kahn, K.; Bruice, T. C. (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 (30), 8825−8833.
1.1.
2001
Kahn, K.; Bruice, T. C. (2001). Diphteria toxin catalyzed hydrolysis of NAD+ : molecular dynamics study of enzyme-bound substrate, transition state, and inhibitor. Journal of the American Chemical Society, 123 (48), 11960−11969.
1.1.
2000
Bruice, T. C.; Kahn, K. (2000). Computational enzymology. Current Opinion in Chemical Biology, 4 (5), 540−544.
1.1.
2000
Lau, E. Y.; Kahn, K.; Bash, P. A.; Bruice, T. C. (2000). The importance of reactant positioning in enzyme catalysis: A hybrid quantum mechanics/molecular mechanics study of a haloalkane dehydrogenase. Proceedings of the National Academy of Sciences of the United States of America, 97 (18), 9937−9942.
1.1.
2000
Kahn, K.; Bruice, T. C. (2000). alpha-Ketoamides and alpha-ketocarbonyls: Conformational analysis and development of all-atom OPLS force field. Bioorganic & Medicinal Chemistry, 8 (8), 1881−1891.
1.1.
2000
Kahn, K.; Bruice, T. C. (2000). Transition state and ground state structures and their interaction with the active site residues in catechol O–methyltransferase. Journal of the American Chemical Society, 122 (1), 46−51.
1.1.
2000
Kahn, K.; Tipton, P. A. (2000). Kinetics and mechanism of allantoin racemization. Bioorganic Chemistry, 28 (2), 62−72.
1.1.
1999
Luo, J.; Kahn, K.; Bruice, T. C. (1999). 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. Bioorganic Chemistry, 27 (4), 289−296.
1.1.
1999
Sarma, A. D.; Serfozo, P.; Kahn, K.; Tipton, P. A. (1999). Identification and purification of hydroxyisourate hydroxylase, a novel ureide-metabolizing enzyme. Journal of Biological Chemistry, 274 (48), 33863−33865.
1.1.
1999
Kahn, K. (1999). Theoretical study of intermediates in the urate oxidase reaction. Bioorganic Chemistry, 27 (5), 351−362.
1.1.
1998
Kahn, K.; Tipton, P. A. (1998). Spectroscopic characterization of intermediates in the urate oxidase reaction. Biochemistry, 37 (33), 11651−11659.
1.1.
1997
Kahn, K.; Serfozo, P.; Tipton, P. A. (1997). Identification of the true product of the urate oxidase reaction. Journal of the American Chemical Society, 119 (23), 5435−5442.
1.1.
1997
Kahn, K.; Tipton, P. A. (1997). Kinetic mechanism and cofactor content of soybean root nodule urate oxidase. Biochemistry, 36 (16), 4731−4738.
28.02.2021

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SFSF0140031As09Uued arvutusmeetodid keerukate biomolekulide süsteemide kirjeldamiseks01.01.200931.12.2014Mati KarelsonTallinna Tehnikaülikool, Matemaatika-loodusteaduskond355 655,16 EUR