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Computational methods and theory for ion channel research

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dc.contributor.authorGuardiani, C.
dc.contributor.authorCecconi, F.
dc.contributor.authorChiodo, L
dc.contributor.authorCottone, G.
dc.contributor.authorMalgaretti, P.
dc.contributor.authorMaragliano, L.
dc.contributor.authorBarabash, M.L.
dc.contributor.authorCamisasca, G.
dc.contributor.authorCeccarelli, M.
dc.contributor.authorCorry, Ben
dc.contributor.authorRoth, R.
dc.date.accessioned2024-04-14T22:30:55Z
dc.date.available2024-04-14T22:30:55Z
dc.date.issued2022
dc.date.updated2022-11-20T07:17:12Z
dc.description.abstractIon 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.en_AU
dc.description.sponsorshipThis project has received funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme [grant agreement No 803213]. MLB has been partially supported by a Ph.D. Scholarship from the Faculty of Science and Technology of Lancaster University, UK, by the Engineering and Physical Sciences Research Council UK (grants EP/M016889/1 and EP/M015831/1), and by a Leverhulme Trust Research Project Grant RPG-2017-134. BR is supported by the National Institutes of Health (NIH) through grant R0- GM062342en_AU
dc.format.mimetypeapplication/pdfen_AU
dc.identifier.issn2374-6149en_AU
dc.identifier.urihttp://hdl.handle.net/1885/316727
dc.language.isoen_AUen_AU
dc.provenanceThis is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons. org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.en_AU
dc.publisherTaylor & Francisen_AU
dc.rights© 2022 The authorsen_AU
dc.rights.licenseCreative Commons Attribution licenceen_AU
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/en_AU
dc.sourceAdvances in Physics: Xen_AU
dc.subjectIon channelsen_AU
dc.subjectcontinuum modelsen_AU
dc.subjectmolecular dynamicsen_AU
dc.subjectrare eventsen_AU
dc.subjectconductanceen_AU
dc.subjectselectivityen_AU
dc.subjectgatingen_AU
dc.subjectmachine learning;en_AU
dc.subjectbiomimetic nanoporesen_AU
dc.titleComputational methods and theory for ion channel researchen_AU
dc.typeJournal articleen_AU
dcterms.accessRightsOpen Accessen_AU
local.bibliographicCitation.issue1en_AU
local.bibliographicCitation.lastpage74en_AU
local.bibliographicCitation.startpage1en_AU
local.contributor.affiliationGuardiani, C., Sapienza University of Romeen_AU
local.contributor.affiliationCecconi, F., National Institute for Nuclear Physicsen_AU
local.contributor.affiliationChiodo, L, Campus Bio Medico University of Romeen_AU
local.contributor.affiliationCottone, G., University of Palermoen_AU
local.contributor.affiliationMalgaretti, P., Forschungszentrum Julichen_AU
local.contributor.affiliationMaragliano, L., Italian Institute of Technologyen_AU
local.contributor.affiliationBarabash, M.L., Rice Universityen_AU
local.contributor.affiliationCamisasca, G., Roma Tre Universityen_AU
local.contributor.affiliationCeccarelli, M., University of Cagliarien_AU
local.contributor.affiliationCorry, Ben, College of Science, ANUen_AU
local.contributor.affiliationRoth, R., Eberhard Karls University Tubingenen_AU
local.contributor.authoruidCorry, Ben, u9719358en_AU
local.description.notesImported from ARIESen_AU
local.identifier.absfor310112 - Structural biology (incl. macromolecular modelling)en_AU
local.identifier.absfor310110 - Receptors and membrane biologyen_AU
local.identifier.absfor510501 - Biological physicsen_AU
local.identifier.absseo280102 - Expanding knowledge in the biological sciencesen_AU
local.identifier.absseo200105 - Treatment of human diseases and conditionsen_AU
local.identifier.absseo280120 - Expanding knowledge in the physical sciencesen_AU
local.identifier.ariespublicationu5399821xPUB48en_AU
local.identifier.citationvolume7en_AU
local.identifier.doi10.1080/23746149.2022.2080587en_AU
local.publisher.urlhttps://www.tandfonline.com/en_AU
local.type.statusPublished Versionen_AU

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