Dataset for In silico study of novel inhibitors to Pseudomonas aeruginosa Lipase enzyme
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资源简介：
Tarballs of docked structures, MD trajectories and BPMD simulations of novel inhibitors targeting the P. aeruginosa Lipase enzyme. The LIPASE.rar file contains all data for docked structures, BPMD simulations and replica number 3 of the MD simulations. MD simulation data from replicas 1 and 2 are available in the other two rar files.
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Zenodo创建时间：
2022-12-27
