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  • EntropyPaper

    Accepted author manuscript, 2.14 MB, PDF document

    Available under license: CC BY: Creative Commons Attribution 4.0 International License

  • WATG_Entropy

    Final published version, 2.13 MB, PDF document

    Available under license: CC BY: Creative Commons Attribution 4.0 International License

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Application of a statistical and linear response theory to multi-ion Na+ conduction in NaChBac

Research output: Contribution to journalJournal articlepeer-review

Published
Article number249
<mark>Journal publication date</mark>21/02/2021
<mark>Journal</mark>Entropy
Issue number2
Volume23
Number of pages16
Publication StatusPublished
<mark>Original language</mark>English

Abstract

Biological ion channels are fundamental to maintaining life. In this manuscript we apply our recently developed statistical and linear response theory to investigate Na+ conduction through the prokaryotic Na+ channel NaChBac. This work is extended theoretically by the derivation of ionic conductivity and current in an electrochemical gradient, thus enabling us to compare to a range of whole-cell data sets performed on this channel. Furthermore, we also compare the magnitudes of the currents and populations at each binding site to previously published single-channel recordings and molecular dynamics simulations respectively. In doing so, we find excellent agreement between theory and data, with predicted energy barriers at each of the four binding sites of ∼4,2.9,3.6, and 4kT.