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MD Simulation of DNA topoisomerase IV subunit C (parC) protein of P. aeruginosa, with mutations recorded in 1999 in complex with Ciprofloxacin (CIP) ligand molecule

Authors: Roy, Analabha;

MD Simulation of DNA topoisomerase IV subunit C (parC) protein of P. aeruginosa, with mutations recorded in 1999 in complex with Ciprofloxacin (CIP) ligand molecule

Abstract

Mutated sequences of DNA topoisomerase IV (subunit C) protein (mutations recorded in 1999) associated with P. aeruginosa are modeled and docked with a molecule of Ciprofloxacin. 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

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