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Best docking poses of the thiazolidinedione series of ligands in the active (closed) (a) and inactive (open) (b) LYP conformation. (a) The salicylic acid moieties interact in the catalytic site, including a hydrogen bond interaction to Asp195 in the WPD-loop in the closed conformation. (b) The docked ligands’ orientations are not consistent in the open form
