Work

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

Year: 2018

Type: article

Source: Journal of Chemical Information and Modeling

DOI: 10.1021/acs.jcim.8b00417

Authors: Jill F. Ellenbarger, Inna V. Krieger, Hsiao-ling Huang, Silvia Gómez-Coca, Thomas R. Ioerger, James C. Sacchettini, Steven E. Wheeler, Kim R. Dunbar

Institutions: John Brown University, Texas A&M University, King's College London, University of Georgia

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Computational Theory and Mathematics

Field: Computer Science

Domain: Physical Sciences

Open Access status: closed

Funders: National Science Foundation, Welch Foundation, Texas A and M University, National Institutes of Health, National Institute of Allergy and Infectious Diseases, Division of Chemistry

Awards: G2026078087, G2442074268, G2882158088, Structure-based Discovery of Critical Vulnerabilities of Mycobacteria

OpenAlex ID: W4241830579

FWCI: 2.99

Cites: 33

Cited by: 28

Related to: 10