Anion-π Interactions in Computer-Aided Drug Design: Modeling the Inhibition of Malate Synthase by Phenyl-Diketo Acids

Author:

Ellenbarger Jill F.12ORCID,Krieger Inna V.3,Huang Hsiao-ling13,Gómez-Coca Silvia14,Ioerger Thomas R.5,Sacchettini James C.13ORCID,Wheeler Steven E.16ORCID,Dunbar Kim R.1ORCID

Affiliation:

1. Department of Chemistry, Texas A&M University, P.O. Box 30012, College Station, Texas 77842, United States

2. Department of Chemistry, John Brown University, 2000 West University Street, Siloam Springs, Arkansas 72761, United States

3. Department of Biochemistry and Biophysics, Texas A&M University, 3112 TAMU, College Station, Texas 77842, United States

4. Department of Chemistry, King’s College London, 7 Trinity Street, London SE1 1DB, U.K.

5. Department of Computer Science and Engineering, Texas A&M University, 3112 TAMU, College Station, Texas 77842, United States

6. Center for Computational Quantum Chemistry, Department of Chemistry, University of Georgia, 140 Cedar Street, Athens, Georgia 30602-2556, United States

Funder

Division of Chemistry

Welch Foundation

National Institute of Allergy and Infectious Diseases

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

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