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

Published: 8 December 2021| Version 1 | DOI: 10.17632/94rh86jfpk.1
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Description

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.

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Institutions

VIT University, National Institute of Research in Tuberculosis

Categories

Structural Biology, Molecular Dynamics, Molecular Docking

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