Computational methods and theory for ion channel research.
Ion channels
biomimetic nanopores
conductance
continuum models
gating
machine learning
molecular dynamics
rare events
selectivity
Journal
Advances in physics: X
ISSN: 2374-6149
Titre abrégé: Adv Phys X
Pays: England
ID NLM: 101712862
Informations de publication
Date de publication:
2022
2022
Historique:
entrez:
25
7
2022
pubmed:
26
7
2022
medline:
26
7
2022
Statut:
ppublish
Résumé
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.
Identifiants
pubmed: 35874965
doi: 10.1080/23746149.2022.2080587
pmc: PMC9302924
mid: NIHMS1821206
pii:
doi:
Types de publication
Journal Article
Langues
eng
Subventions
Organisme : NIGMS NIH HHS
ID : R01 GM062342
Pays : United States
Déclaration de conflit d'intérêts
Disclosure statement No potential conflict of interest was reported by the authors.
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