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Identification of novel efflux pump inhibitors for Neisseria gonorrhoeae via multiple ligand-based pharmacophores, e-pharmacophore, molecular docking, density functional theory, and molecular dynamics approaches

Jain, N; Sk, MF; Mishra, A; Kar, P; Kumar, A

Jain, N; Kumar, A (通讯作者),Indian Inst Technol Indore, Dept Biosci & Biomed Engn, Indore 453552, Madhya Pradesh, India.

COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2022; 98 ():

Abstract

Neisseria gonorrhoeae have progressively developed resistance to almost all antibiotics, and it has become imperative to develop novel approaches to c......

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