Supplementary data related to the quality validations of simulated protein-ligand complexes and SYBYL docking scores of bioactive natural compounds as inhibitors of Mycobacterium tuberculosis protein-targets

This supplementary raw data set belongs to the article entitled "Datasets comprising the quality validations of simulated protein-ligand complexes and SYBYL docking scores of bioactive natural compounds as inhibitors of Mycobacterium tuberculosis protein-targets" in Data in Brief journal. This data set comprises raw docking scores and simulation data to reproduce images cited in the manuscript.