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. 2020 Aug 11;22(3):bbaa161. doi: 10.1093/bib/bbaa161

Figure 7.

Figure 7

3D structural similarities contour. (A) The contour of 3D structural similarities between growth ligands and crystal ligand N3 of SARS-CoV-2 Mpro based on DL model and de novo drug design. (B) The contour of 3D structural similarities between docked ligands and crystal ligand N3 of SARS-CoV-2 Mpro based on DL model and drug virtual screening. The contour is divided into six color levels. The representative molecules of six color levels are extracted to show the structural similarity with crystal ligand N3 in the pocket of SARS-CoV-2 Mpro.