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

Research output: Contribution to Journal/Magazine › Journal article › peer-review

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Application of a statistical and linear response theory to multi-ion Na+ conduction in NaChBac. / Gibby, William; Fedorenko, Olena; Guardiani, Carlo et al.
In: Entropy, Vol. 23, No. 2, 249, 21.02.2021.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Harvard

Gibby, W, Fedorenko, O, Guardiani, C, Barabash, M, Mumby, T, Roberts, S, Luchinsky, D & McClintock, PVE 2021, 'Application of a statistical and linear response theory to multi-ion Na+ conduction in NaChBac', Entropy, vol. 23, no. 2, 249. https://doi.org/10.3390/e23020249

APA

Gibby, W., Fedorenko, O., Guardiani, C., Barabash, M., Mumby, T., Roberts, S., Luchinsky, D., & McClintock, P. V. E. (2021). Application of a statistical and linear response theory to multi-ion Na+ conduction in NaChBac. Entropy, 23(2), Article 249. https://doi.org/10.3390/e23020249

Vancouver

Gibby W, Fedorenko O, Guardiani C, Barabash M, Mumby T, Roberts S et al. Application of a statistical and linear response theory to multi-ion Na+ conduction in NaChBac. Entropy. 2021 Feb 21;23(2):249. doi: 10.3390/e23020249

Author

Gibby, William ; Fedorenko, Olena ; Guardiani, Carlo et al. / Application of a statistical and linear response theory to multi-ion Na+ conduction in NaChBac. In: Entropy. 2021 ; Vol. 23, No. 2.

Bibtex

@article{a0741b93a70846eeaf1da5313bd4dfea,
title = "Application of a statistical and linear response theory to multi-ion Na+ conduction in NaChBac",
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.",
author = "William Gibby and Olena Fedorenko and Carlo Guardiani and Miraslau Barabash and Thomas Mumby and Stephen Roberts and Dmitry Luchinsky and McClintock, {Peter V. E.}",
year = "2021",
month = feb,
day = "21",
doi = "10.3390/e23020249",
language = "English",
volume = "23",
journal = "Entropy",
issn = "1099-4300",
publisher = "Multidisciplinary Digital Publishing Institute (MDPI)",
number = "2",

}

RIS

TY - JOUR

T1 - Application of a statistical and linear response theory to multi-ion Na+ conduction in NaChBac

AU - Gibby, William

AU - Fedorenko, Olena

AU - Guardiani, Carlo

AU - Barabash, Miraslau

AU - Mumby, Thomas

AU - Roberts, Stephen

AU - Luchinsky, Dmitry

AU - McClintock, Peter V. E.

PY - 2021/2/21

Y1 - 2021/2/21

N2 - 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.

AB - 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.

U2 - 10.3390/e23020249

DO - 10.3390/e23020249

M3 - Journal article

VL - 23

JO - Entropy

JF - Entropy

SN - 1099-4300

IS - 2

M1 - 249

ER -