Machine Learning-Enabled Virtual Screening Indicates the Anti-Tuberculosis Activity of Aldoxorubicin and Quarfloxin with Verification by Molecular Docking, Molecular Dynamics Simulations, and Biological Evaluations.
BRIEFINGS IN BIOINFORMATICS（2024）
Key words
machine learning,ligand-based virtual screening,drug repurposing,antitubercular,Mycobacterium tuberculosis
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