Computational methods and theory for ion channel research

C. Guardiani, F. Cecconi, L. Chiodo, G. Cottone, P. Malgaretti, L. Maragliano, M. L. Barabash, G. Camisasca, M. Ceccarelli, B. Corry, R. Roth, A. Giacomello*, B. Roux

*Corresponding author for this work

    Research output: Contribution to journalReview articlepeer-review

    8 Citations (Scopus)

    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.

    Original languageEnglish
    Article number2080587
    JournalAdvances in Physics: X
    Volume7
    Issue number1
    DOIs
    Publication statusPublished - 2022

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