Ion channels are fundamental biological devices that act as gates in order to ensure selective ion transport across cellular membranes; their operation constitutes the molecular mechanism through which basic biological functions, such as nerve signal transmission and muscle contraction, are carried out. Here, we review recent results in the field of computational research on ion channels,covering theoretical advances, state-of-the-art simulation approaches, and frontline modeling techniques. We also report on few selected applications of continuum and atomistic methods to characterize the mechanisms of permeation, selectivity, and gating in biological and model channels.

Guardiani C., Cecconi F., Chiodo L., Cottone G., Malgaretti P., Maragliano L., et al. (2022). Computational methods and theory for ion channel research. ADVANCES IN PHYSICS: X, 7(1), 1-75 [10.1080/23746149.2022.2080587].

Computational methods and theory for ion channel research

Cottone G.;
2022-01-01

Abstract

Ion channels are fundamental biological devices that act as gates in order to ensure selective ion transport across cellular membranes; their operation constitutes the molecular mechanism through which basic biological functions, such as nerve signal transmission and muscle contraction, are carried out. Here, we review recent results in the field of computational research on ion channels,covering theoretical advances, state-of-the-art simulation approaches, and frontline modeling techniques. We also report on few selected applications of continuum and atomistic methods to characterize the mechanisms of permeation, selectivity, and gating in biological and model channels.
2022
Settore PHYS-06/A - Fisica per le scienze della vita, l'ambiente e i beni culturali
Guardiani C., Cecconi F., Chiodo L., Cottone G., Malgaretti P., Maragliano L., et al. (2022). Computational methods and theory for ion channel research. ADVANCES IN PHYSICS: X, 7(1), 1-75 [10.1080/23746149.2022.2080587].
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10447/565483
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