Molecular Dynamics Simulations of Aminonucleotidyltransferase protein from Pseudomonas aeruginosa with various antibiotic molecules

2 sequences of Aminonucleotidyltransferase, associated with various strains of P. aeruginosa were obtained from the Uniprot database, modelled and docked with ligands, streptomycin (with the 2012 and 2016 strains) and tobramycin (with the 2016 strain only). 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本研究从UniProt数据库获取了与不同铜绿假单胞菌（Pseudomonas aeruginosa，缩写P. aeruginosa）菌株相关的2条氨基核苷酸转移酶（Aminonucleotidyltransferase）序列，对其开展分子建模，并与配体（ligand）进行分子对接：针对2012和2016年菌株使用链霉素（streptomycin）作为配体，仅针对2016年菌株使用妥布霉素（tobramycin）作为配体。 本分子建模与分子对接模拟的相关数据可通过以下资源获取：Roy, A. (2025). 与铜绿假单胞菌菌株相关的多种蛋白与各类抗生素分子的对接研究 [数据集]. Zenodo. https://doi.org/10.5281/zenodo.15383904