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Pharmacophore modeling is a powerful tool for drug discovery, but its effectiveness heavily relies on the availability of both active molecules and the biological target ( 3.6 Experimental validation After applying the virtual screening protocol (Supplementary Figures S2), we identified 18 candidate molecules based on their docking scores and MMGBSA free energy calculations

[DOI] [PubMed] [Google Scholar] 22.Frias J.P., Hsia S., Eyde S., et al

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