Figure 1.

The crystal structure of apo-IFABP superimposed on four MD structures obtained from simulations in water (A) or the lowest energy MD structure on an anionic membrane (B). The crystal structure of holo-IFABP superimposed on four MD structures from simulations in water (C). The crystal structure is shown in gray. The structures in water are the energy-minimized average structures calculated from the last 1.6 ns of four MD simulations; the MD structure on the membrane is the energy-minimized structure obtained at the end of 2-ns MD simulations.