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Figure 1

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

Figure 1

Distribution of holo-structures and ligands. (A) Histogram depicting the distribution of holo-structures based on their crystallographic resolutions, expressed in angstroms (Å). (B) Chemical structures of the largest and smallest ligands extracted from 342 PDB entries of Mpro. Histograms illustrate the distribution of extracted ligands according to their molecular weight (C), logP (D), rotatable bonds (E), and topological polar surface area properties (F).

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