Fig. 5.

Structural dynamics of the bound AR-LBD and SPEP-24 complex. In black is the root-mean-square deviation (RMSD) along the molecular dynamics trajectory of all backbone atoms of AR LBD in complex with SPEP-24 with respect to the crystal structure of DHT and an AF-2 peptide bound to AR-LBD (pdb code 1t7r). In red is the corresponding plot for a molecular dynamics simulation for AR-LBD with DHT alone