Published June 5, 2026 | Version 1.0

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/Creators

  • 1. Department of Physics, The University of Burdwan, India

Contributors

  • 1. Department of Physics, The University of Burdwan, India
  • 2. University of Burdwan

Description

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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