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cond-mat.soft2020★ 71 cited
Molecular Mean-Field Theory of Ionic Solutions: a Poisson-Nernst-Planck-Bikerman Model
Jinn-Liang Liu, Bob Eisenberg
We have developed a molecular mean-field theory -- fourth-order Poisson-Nernst-Planck-Bikerman theory -- for modeling ionic and water flows in biological ion channels by treating i…
cond-mat.soft2017
Poisson-Fermi Formulation of Nonlocal Electrostatics in Electrolyte Solutions
Jinn-Liang Liu, Dexuan Xie, Bob Eisenberg
We present a nonlocal electrostatic formulation of nonuniform ions and water molecules with interstitial voids that uses a Fermi-like distribution to account for steric and correla…
cond-mat.soft2015★ 6 cited
Energetics of ion competition in the DEKA selectivity filter of neuronal sodium channels
D. Boda, G. Leaf, J. Fonseca +1
The energetics of ionic selectivity in the neuronal sodium channels is studied. A simple model constructed for the selectivity filter of the channel is used. The selectivity filter…