Fig. 7. Structural analysis of MD simulation. Overview of the structures of (a) tubulin-apo at 0 ns (pink) and 26 ns (light green); (b) tubulin–plinabulin at 0 ns (pink) and 26 ns (light green); (c) radius of gyration of tubulin–plinabulin (red) and tubulin-apo (black) with time; (d) the pocket comparison of tubulin-apo of 0 ns (pink) and 26 ns (cyan); (e) the pocket comparison of the crystal structures of tubulin bound with plinabulin (pink) (PDB ID: 5C8Y) and with colchicine (green) (PDB ID: 1SA0); (f) the pocket comparison of 5C8Y (pink) and tubulin-apo (grey) (PDB ID: 3HKB).