Molecular mechanism of facilitated transport by carrier ionophores:A study of energetics.

The mechanism of ion transport by carrier ionophores is investigated. The electrostatic potential is used as index of the binding energy of a cation with valinomycin and enniatin B. The ion binding capacities of these ionophores are studied as functions of conformation and of distance of an approaching ion-complex. The energetics of dirnerisation and the binding energy profile of an ion in dimers of valinomycin and enniatin B are examined. The binding energy profiles and the electrostatic potential surfaces of valinomycin and enniatin B are compared in relation to their biological activities.