(A) Plot of root mean square deviation (RMSD) of Cα of Hsp90/Cdc37 (protein) and Hsp90/Cdc37/WA (complex). RMSDs were calculated using the initial structures as templates. For protein (red) the reference is the PDB structure and for complex (blue) the reference is the initial docked structure. The trajectories were captured every 2.5 ps until the simulation time reached 4000 ps. (B) Plot of total energy of Hsp90/Cdc37 and Hsp90/Cdc37/WA (complex) The energy trajectories of both the protein (red) and the complex (blue) are stable over the entire length of simulation time.