Figure 5 | Scientific Reports

Figure 5

From: Computational evaluation and benchmark study of 342 crystallographic holo-structures of SARS-CoV-2 Mpro enzyme

Figure 5

Ligand pose prediction performance on selected Mpro structures. (A) Assessment of pose prediction accuracy for selected Mpro structures. The success rate indicates the proportion of docked poses with RMSD less than 2 Å compared to the same ligands in the corresponding crystallographic structures. (B) Distribution of poses by RMSD values for each selected Mpro structure. (C) The best-predicted poses with their corresponding crystallographic structures. Green—docked pose; pink—native crystallographic pose.

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