A New Poisson-Nernst-Planck Model with Ion-Water Interactions for Charge Transport in Ion Channels.
作者： Duan Chen
DOI: 10.1007/S11538-016-0196-7
关键词: Interaction energy 、 Ion channel 、 Chemical physics 、 Ion 、 Molecular dynamics 、 Molecule 、 Dielectric 、 Ion transporter 、 Physics 、 Atomic physics 、 Nernst equation
摘要: In this work, we propose a new Poisson-Nernst-Planck (PNP) model with ion-water interactions for biological charge transport in ion channels. Due to narrow geometries of these membrane proteins, interaction is critical both dielectric property water molecules channel pore and dynamics mobile ions. We the energy based on realistic experimental observations an efficient mean-field approach. Variation total functional system yields PNP-type continuum model. Numerical simulations show that proposed has features quantitatively describe properties pores are possible selectivity some
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