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Lakshmi S. Devi-Kesavan, Ph.D.

Affiliations:

2003

University of Minnesota, Twin Cities, Minneapolis, MN

Area:

Chemical Biology; Chemical Physics; Computational Chemistry; Physical Chemistry; Organic Chemistry

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"Lakshmi Devi-Kesavan"

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Jiali Gao	grad student	2003	UMN
(Understanding the catalytic mechanism of haloalkane dehalogenase: A combined QM/MM study.)

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Ma S, Devi-Kesavan LS, Gao J. (2007) Molecular dynamics simulations of the catalytic pathway of a cysteine protease: a combined QM/MM study of human cathepsin K. Journal of the American Chemical Society. 129: 13633-45
Nam K, Prat-Resina X, Garcia-Viloca M, et al. (2004) Dynamics of an enzymatic substitution reaction in haloalkane dehalogenase. Journal of the American Chemical Society. 126: 1369-76
Devi-Kesavan LS, Gao J. (2003) Combined QM/MM study of the mechanism and kinetic isotope effect of the nucleophilic substitution reaction in haloalkane dehalogenase. Journal of the American Chemical Society. 125: 1532-40
Devi-Kesavan LS, Garcia-Viloca M, Gao J. (2003) Semiempirical QM/MM potential with simple valence bond (SVB) for enzyme reactions. Application to the nucleophilic addition reaction in haloalkane dehalogenase Theoretical Chemistry Accounts. 109: 133-139

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