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. 2024 Jun 2;29(11):2616. doi: 10.3390/molecules29112616

Figure 2.

Figure 2

(A) Visualization of the II/GSK-3β complex of refined crystal structure (PDB ID: 4PTC), gscore function value −9.81. (B) Visualization of the docking pose of the 49/GSK-3β complex, gscore function value −9.87. (C) Visualization of the docking pose of the 40/GSK-3β complex, gscore function value −8.16. All poses were obtained using Glide (Schrodinger Suite, 2023). Residues 52–65 are hidden for clarity. Hydrogen bonds are shown as yellow dashed lines. Favorable contacts (van der Waals overlap > −0.3 Å) are shown as cyan-colored dashed lines.