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References: [1] [2] [3] [4] [5]

New ligands are needed for the targets of known structure, wherein the potential compounds are screened for their adequate efficacy against a target of interest, and also the therapeutic dosage approval is possible by analyzing the ADMET properties to be able to abide by the Lipinski rule and investigate the drug likeliness of the compound ( Figure 5 By generating an ensemble of ligand conformers that are subsequently firmly docked into the binding site, fast rigid exhaustive docking (FRED