Figure 9. The theoretical structure of human CDK8-CycC complex with the lowest potential energy in solution during the molecular dynamic simulation.
a, The theoretical structure of human CDK8-CycC complex with the lowest potential energy in the water box; b, Overlap of MD simulated CDK8-CycC complex with the crystal CDK8-CycC complex. CDK8: cyan represents crystal structure and structure presentation represents MD structure. CycC: cyan represents crystal structure and orange represents MD structure.