Figure 1
Variation of dynamic parameters of ERα bound to different ligands obtained from MD stimulation. (A) Variations in Cα-RMSD of ERα monomer with simulation time. RES-ERantgonist, DES-ER and ICI-ER have highly stable complexes during simulation (cyan, black and orange), RES-ERagonist and 4OHT-ER show high fluctuations (green, red). (B) RMSF profile of RES-ERα monomer. Black and red lines represent RES bound ERα in agonist and antagonist conformation, respectively. The peak in fluctuation corresponds to Helices 8 & 9 (residues 150 to 166).