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Ligand size (LS)-based docking performance analysis and comparison. (A) Plot of the number of successful docking complexes (rmsd ≤ 2 Å) and complexes with rmsd > 2 Å for four categories of ligand size, LS ≤ 18, 18 < LS ≤ 25, 25 < LS < 35, LS ≥ 35. (B–E) Plot of average rmsd of the docked complexes with respect to their corresponding original complexes for various ligand size categories. Ligand size is categorized based on the number of atoms. *** indicates p-value ≤ 0.001.
