Simulation study of a rectifying bipolar ion channel: Detailed model versus reduced model

• Published in: Condensed Matter Physics
• Date: 2016
• Main Authors: Ható, Z., Boda, D., Gillespie, D., Vrabec, J., Rutkai, G., Kristóf, T.
• Format: Article
• Language: English
• Published: Інститут фізики конденсованих систем НАН України 2016
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/155786
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: Simulation study of a rectifying bipolar ion channel: Detailed model versus reduced model / Z. Ható, D. Boda, D. Gillespie, J. Vrabec, G. Rutkai, T. Kristóf // Condensed Matter Physics. — 2016. — Т. 19, № 1. — С. 13802: 1–16 . — Бібліогр.: 85 назв. — англ.

We study a rectifying mutant of the OmpF porin ion channel using both all-atom and reduced models. The mutant was created by Miedema et al. [Nano Lett., 2007, 7, 2886] on the basis of the NP semiconductor diode, in which an NP junction is formed. The mutant contains a pore region with positive amino...