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
Contributors:
,
,
,
,
,
,

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.

Files

Institutions

VIT University, National Institute of Research in Tuberculosis

Categories

Structural Biology, Molecular Dynamics, Molecular Docking

Licence