Fig. 8. (a) Ligand-position RMSDs of plinabulin, compound a, compound e, and compound f; (b) structure analysis of MD simulation: tubulin–plinabulin (pink) vs. tubulin–a (green) (c) overview of the structures of tubulin–e (pink) and tubulin–f (green) after MD simulation vs. tubulin–f (grey) before MD simulation; (d) structure analysis of MD simulation: tubulin–e (pink) vs. tubulin–f (green); (e) number of hydrogen bonds: compound evs. compound f.
