MD Simulations of Aminonucleotidyltransferase (AMINO), with mutations recorded in 2012 and 2016, in complex with Neomycin (NEO) and Tobramycin (TOB) ligand molecules

2 sequences of Aminonucleotidyltransferase, associated with various strains of P. aeruginosa were obtained from the Uniprot database, modelled and docked with ligands, neomycin (with the 2012 and 2016 strains) and tobramycin (with the 2012 strain only). The data from subsequent Molecular Dynamics simulation is presented.\n The data from the Molecular Modelling and Docking Simulations can be found here:\n Roy, A. (2025). Docking of several proteins associated with strains of Pseudomonas aeruginosa with various antibiotic molecules . Zenodo. https://doi.org/10.5281/zenodo.15383903