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

Figure 6.

Figure 6

3D structural similarities contour. (A) The contour of 3D structural similarities between growth ligands and crystal ligand MK-0893 of GCGR based on DL model and de novo drug design. (B) The contour of 3D structural similarities between docked ligands and crystal ligand MK-0893 of GCGR based on DL model and drug virtual screening of GCGR. 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 MK-0893 in the pocket of GCGR.