Open AccessPharmacophore-Based Virtual Screening and Molecular Dynamics Simulation for Identification of a Novel DNA Gyrase B Inhibitor with Benzoxazine Acetamide Scaffold
Author(s) -
Samia A. Elseginy,
Manal M. Anwar
Publication year - 2021
Publication title -
acs omega
Language(s) - English
Resource type - Journals
ISSN - 2470-1343
DOI - 10.1021/acsomega.1c05732
Subject(s) - dna gyrase , virtual screening , molecular dynamics , chemistry , pharmacophore , dna , stereochemistry , van der waals force , docking (animal) , radius of gyration , acetamide , binding site , crystallography , computational chemistry , biochemistry , molecule , escherichia coli , organic chemistry , medicine , nursing , gene , polymer
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