On the crucial features of a single-file transport model for ion channels

TL;DR

This paper investigates the essential features needed in single-file transport models for ion channels to accurately reflect their physical properties, addressing gaps between theory, simulation, and experiment.

Contribution

It identifies key features that theoretical models must include to better match atomic-level simulations and experimental observations of ion channels.

Findings

Highlights discrepancies between models, simulations, and experiments

Proposes criteria for realistic single-file transport models

Emphasizes importance of certain physical features in modeling

Abstract

It has long been accepted that the multiple-ion single-file transport model is appropriate for many kinds of ion channels. However, most of the purely theoretical works in this field did not capture all of the important features of the realistic systems. Nowadays, large-scale atomic-level simulations are more feasible. Discrepancy between theories, simulations and experiments are getting obvious, enabling people to carefully examine the missing parts of the theoretical models and methods. In this work, it is attempted to find out the essential features that such kind of models should possess, in order that the physical properties of an ion channel be adequately reflected.