MD Simulation of DNA topoisomerase IV subunit C (parC) protein of P. aeruginosa, with mutations recorded in 2015 in complex with Nalidixic Acid (NDX) ligand molecule

Mutated sequences of DNA topoisomerase IV (subunit C) protein (mutations recorded in 2015) associated with P. aeruginosa are modeled and docked with a molecule of Nalidixic Acid. 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