MD Simulation of DNA gyrase subunit A (gyrA) and topoisomerase IV subunit C (parC) proteins of P. aeruginosa (with mutations recorded in 2018), each in complex with Levofloxacin (LEV) ligand molecule

Mutated sequences of DNA gyrase (subunit A) and topoisomerase IV (subunit C) proteins (recorded in 2018) associated with P. aeruginosa are modeled and individually docked with a molecule of Levofloxacin. The data from subsequent Molecular Dynamics simulation is presented. The data from the Molecular Modelling and Docking Simulations can be found here: Roy, A. (2025). Docking of several proteins associated with strains of Pseudomonas aeruginosa with various antibiotic molecules [Data set]. Zenodo. https://doi.org/10.5281/zenodo.15383903