Figure 1.

Simulated systems with the curvatures 0.2 nm⁻¹ (top panel), 0.0 nm⁻¹ (middle panel) and −0.2 nm⁻¹ (bottom panel). Outer membrane leaflet is on top. PC is red, PE is blue, PS is violet, SM is orange and cholesterol is green (see Methods for definitions of abbreviations). N and P atoms of the lipid head group and the hydroxyl oxygen of cholesterol are shown as spheres. Black spheres show dummy particles which maintain the membrane shape. Black lines show approximate axes where the ligands are restrained during umbrella sampling simulations. Water molecules and ions are not shown for clarity.