Figure 11.

Representative frames from molecular dynamics of PPARα (light gray) in complex with 13-HODE (dark grey) shown in ball and stick representation. Panel (A,B) show the docking pose I and pose II of the ligand, respectively. Protein residues within 5 Å from the ligands are shown in stick representation. H-bonds are shown as green stick. Hydrogen, nitrogen, oxygen, and sulfur atom are painted white, blue, red, and yellow, respectively. A transparent surface for ribbons was used wherever they hide the ligand-binding site.