Figure 1

Binding of tamoxifen to the ligand binding domain of ER alpha showing the native pose from a crystal structure of ER alpha resolved in complex with tamoxifen (PDB ID: 3ERT) in blue and the pose obtained by the re-docking of tamoxifen using DOCK in red. An all-atom RMSD of about 1.9 Å between the native and docking poses is obtained in this case, which is consistent with the level of success typically observed in re-docking experiments. Figure generated using PyMol [32].