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From the potential of the mean force to a quasiparticle’s effective potential in narrow ion channels

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

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From the potential of the mean force to a quasiparticle’s effective potential in narrow ion channels. / Barabash, Miraslau; Gibby, William Alexander Thomas; Guardiani, Carlo et al.

In: Fluctuation and Noise Letters, Vol. 18, No. 2, 1940006, 01.06.2019.

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

Harvard

Barabash, M, Gibby, WAT, Guardiani, C, Luchinsky, D & McClintock, PVE 2019, 'From the potential of the mean force to a quasiparticle’s effective potential in narrow ion channels', Fluctuation and Noise Letters, vol. 18, no. 2, 1940006. https://doi.org/10.1142/S0219477519400066

APA

Barabash, M., Gibby, W. A. T., Guardiani, C., Luchinsky, D., & McClintock, P. V. E. (2019). From the potential of the mean force to a quasiparticle’s effective potential in narrow ion channels. Fluctuation and Noise Letters, 18(2), [1940006]. https://doi.org/10.1142/S0219477519400066

Vancouver

Barabash M, Gibby WAT, Guardiani C, Luchinsky D, McClintock PVE. From the potential of the mean force to a quasiparticle’s effective potential in narrow ion channels. Fluctuation and Noise Letters. 2019 Jun 1;18(2):1940006. Epub 2019 Mar 14. doi: 10.1142/S0219477519400066

Author

Barabash, Miraslau ; Gibby, William Alexander Thomas ; Guardiani, Carlo et al. / From the potential of the mean force to a quasiparticle’s effective potential in narrow ion channels. In: Fluctuation and Noise Letters. 2019 ; Vol. 18, No. 2.

Bibtex

@article{8ca1156659db4d63a6e6eb19afab1763,
title = "From the potential of the mean force to a quasiparticle{\textquoteright}s effective potential in narrow ion channels",
abstract = "We consider the selective permeation of ions through narrow water-filled channels in the presence of strong interaction between the ions. These interactions lead to highly correlated ionic motion, which can conveniently be described via the concept of a quasiparticle. Here, we connect the quasiparticle{\textquoteright}s effective potential and the multi-ion potential of the mean force, found through molecular dynamics simulations, and we validate the method on an analytical toy model of the KcsA channel. Possible future applications of the method to the connection between molecular dynamical calculations and the experimentally measured current-voltage and current-concentration characteristics of the channel are discussed.",
keywords = "Brownian dynamics, Ion channel, effective potential, highly-correlated ionic motion, potential of mean force (PMF), quasiparticle, statistical physics",
author = "Miraslau Barabash and Gibby, {William Alexander Thomas} and Carlo Guardiani and Dmitry Luchinsky and McClintock, {Peter Vaughan Elsmere}",
year = "2019",
month = jun,
day = "1",
doi = "10.1142/S0219477519400066",
language = "English",
volume = "18",
journal = "Fluctuation and Noise Letters",
issn = "0219-4775",
publisher = "World Scientific Publishing Co. Pte Ltd",
number = "2",

}

RIS

TY - JOUR

T1 - From the potential of the mean force to a quasiparticle’s effective potential in narrow ion channels

AU - Barabash, Miraslau

AU - Gibby, William Alexander Thomas

AU - Guardiani, Carlo

AU - Luchinsky, Dmitry

AU - McClintock, Peter Vaughan Elsmere

PY - 2019/6/1

Y1 - 2019/6/1

N2 - We consider the selective permeation of ions through narrow water-filled channels in the presence of strong interaction between the ions. These interactions lead to highly correlated ionic motion, which can conveniently be described via the concept of a quasiparticle. Here, we connect the quasiparticle’s effective potential and the multi-ion potential of the mean force, found through molecular dynamics simulations, and we validate the method on an analytical toy model of the KcsA channel. Possible future applications of the method to the connection between molecular dynamical calculations and the experimentally measured current-voltage and current-concentration characteristics of the channel are discussed.

AB - We consider the selective permeation of ions through narrow water-filled channels in the presence of strong interaction between the ions. These interactions lead to highly correlated ionic motion, which can conveniently be described via the concept of a quasiparticle. Here, we connect the quasiparticle’s effective potential and the multi-ion potential of the mean force, found through molecular dynamics simulations, and we validate the method on an analytical toy model of the KcsA channel. Possible future applications of the method to the connection between molecular dynamical calculations and the experimentally measured current-voltage and current-concentration characteristics of the channel are discussed.

KW - Brownian dynamics

KW - Ion channel

KW - effective potential

KW - highly-correlated ionic motion

KW - potential of mean force (PMF)

KW - quasiparticle

KW - statistical physics

U2 - 10.1142/S0219477519400066

DO - 10.1142/S0219477519400066

M3 - Journal article

VL - 18

JO - Fluctuation and Noise Letters

JF - Fluctuation and Noise Letters

SN - 0219-4775

IS - 2

M1 - 1940006

ER -