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. 2024 Jan 31;20(3):1036–1050. doi: 10.1021/acs.jctc.3c00870

Figure 5.

Figure 5

Summary of pose accuracy across all ligands studied. Each grouped bar represents the fraction of ligand poses that fall into the categories “crystal-like”, for within 2 Å symmetry-corrected RMSD35 of the holo crystal structure, “alternative”, for between 2 and 4 Å RMSD from the holo crystal, and “miss”, for poses above 4. As before, the top panel represents the poses with an “apo” ensemble weighting. The lower panel provides pop-shifted reweights for the same data set.