P. Weetman et al., USE OF THE POISSON-BOLTZMANN EQUATION TO ESTIMATE THE ELECTROSTATIC FREE-ENERGY BARRIER FOR DIELECTRIC MODELS OF BIOLOGICAL ION CHANNELS, JOURNAL OF PHYSICAL CHEMISTRY B, 101(31), 1997, pp. 6073-6078
We have obtained the electrostatic free energy profile of a univalent
positive ion as it is moved from a bulk electrolyte solution into a bi
ological ion channel of various model forms. The form of the results w
as unaffected by the method of calculation. We used a fully consistent
nonlinearized Poisson-Boltzmann scheme, a fully consistent linearized
Poisson-Boltzmann scheme, and hybrid scheme. The channel models we us
ed were designed to (crudely) mimic the shape and imbedded charge and
dipolar distributions for biological ion-selective channels (such as t
he voltage-gated K+ ''shaker'' channel). The results obtained were acc
ounted for on simple physical grounds.