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. 2018 Oct 15;4:48. doi: 10.1038/s41420-018-0111-0

Fig. 4. Molecular docking and molecular dynamics simulation.

Fig. 4

a Three-dimensional crystal structure of the complex of OA (ZINC95098891) with GSK3β (PDB ID: 4ACC). b Plots of root-mean-square deviation (RMSD) of heavy atoms of GSK3β (red) and OA (blue). c Surface presentation of the GSK3β-OA complex crystal structure at 0 and 100 ns