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Computational characteristics of the structure-activity relationship of inhibitors targeting Pks13-TE domain

Shizun Wang1, Jiasi Luan2, Lu Chen1

  • 1Key Laboratory of Structure-Based Drug Design & Discovery of Ministry of Education, Shenyang Pharmaceutical University, Shenyang 110016, China; Key Laboratory of Intelligent Drug Design and New Drug Discovery of Liaoning Province, Shenyang Pharmaceutical University, Shenyang 110016, China; School of Pharmaceutical Engineering, Shenyang Pharmaceutical University, Shenyang 110016, China.

Computational Biology and Chemistry
|April 7, 2023
PubMed

Keywords:
Binding mode modelingMolecular dynamics simulationPks13-TE domainStructure-activity relationshipTuberculosis

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