title: Sequence of ionophore conformational changes induced by a simulated membrane/water interface.
abstract: We demonstrate how the progressive passage through an interface simulated by a linear increase in dielectric constant may mediate a reversible transconformation of Na+/X537A (lasalocid A) from a cyclic to an extended structure. During the passage through the interface, the complex adopts progressively a more extended conformation favorable to the Na+ complexation or decomplexation at the interface.
mesh_terms: D004735:Energy Transfer; D007832:Lasalocid; D008567:Membranes, Artificial; D008954:Models, Biological; D008968:Molecular Conformation; D012964:Sodium; D014867:Water
chemical_list: D008567:Membranes, Artificial; D014867:Water; D012964:Sodium; D007832:Lasalocid