BioinformaticsChemical PapersPeer-reviewed
Identification of Potential DNA Gyrase Inhibitors: Virtual Screening, Extra-Precision Docking and Molecular Dynamics Simulation Study
Avinash Kumar, Chakrawarti Prasun, Ekta Rathi…·Suvarna G. Kini
The paper identifies two potential DNA gyrase inhibitors through virtual screening, docking, and molecular dynamics simulations, showing they bind stably and interact with key residues like the co-crystallized ligand.