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-Reference-Cited by-同舟云学术

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

Published:2022-06 Issue: Volume:42 Page:108146
ISSN:2352-3409
Container-title:Data in Brief
language:en
Short-container-title:Data in Brief

Author:

Miryala Sravan Kumar^ORCID,Basu Soumya,Naha Aniket,Debroy Reetika,Ramaiah Sudha,Anbarasu Anand,Natarajan Saravanan^ORCID

Funder

ICMR-National Institute for Research in Tuberculosis

Publisher

Elsevier BV

Subject

Multidisciplinary

Reference14 articles.

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4. Avogadro: an advanced semantic chemical editor, visualization, and analysis platform;Hanwell;J. Cheminform.,2012

5. Molecular docking and molecular dynamics studies to identify potential OXA-10 extended spectrum β-Lactamase non-hydrolysing inhibitors for pseudomonas aeruginosa;Malathi;Cell Biochem. Biophys.,2016

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