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. 2022 Mar 11;13:837715. doi: 10.3389/fphar.2022.837715

FIGURE 4.

FIGURE 4

Chemical similarity of molecules generated by Pocket2Drug to label ligands. Label ligands are molecules bound to target pockets in experimental complex structures, (A) AMP-PNP binding to MSK1 and (B) ß-d-allose binding to ALBP. Chemical similarity is measured with the Tanimoto coefficient (TC).