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Tytuł artykułu

A Quantum Corrected Poisson-Nernst-Planck Model for Biological Ion Channels

Autorzy
Treść / Zawartość
Warianty tytułu
Języki publikacji
EN
Abstrakty
EN
A quantum corrected Poisson-Nernst-Planck (QCPNP) model is proposed for simulating ionic currents through biological ion channels by taking into account both classical and quantum mechanical effects. A generalized Gummel algorithm is also presented for solving the model system. Compared with the experimental results of X-ray crystallography, it is shown that the quantum PNP model is more accurate than the classical model in predicting the average number of ions in the channel pore. Moreover, the electrostatic potential has been found to reach as high as 19% difference between two models around the charged vestibule which has been shown to play a significant role in the permeation of ions through ion-selective ligand-gated or voltage-activated channels. These results indicate that the QCPNP model may be considered as a more refined continuum model that can be incorporated into a multi-scale electrophysiology modeling.
Wydawca
Rocznik
Tom
3
Numer
1
Opis fizyczny
Daty
otrzymano
2015-04-15
zaakceptowano
2015-07-29
online
2015-08-20
Twórcy
  • Department of Applied Mathematics, National Hsinchu University of Education,
    Hsinchu 300, Taiwan
Bibliografia
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Typ dokumentu
Bibliografia
Identyfikatory
Identyfikator YADDA
bwmeta1.element.doi-10_1515_mlbmb-2015-0005
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