6533b82bfe1ef96bd128d6fd
RESEARCH PRODUCT
Computational methods and theory for ion channel research
C. GuardianiF. CecconiL. ChiodoG. CottoneP. MalgarettiL. MaraglianoM. L. BarabashG. CamisascaM. CeccarelliB. CorryR. RothA. GiacomelloB. Rouxsubject
continuum modelsmolecular dynamicselectivityIon channels; biomimetic nanopores; conductance; continuum models; gating; machine learning; molecular dynamics; rare events; selectivityGeneral Physics and AstronomyArticlemolecular dynamicsSettore FIS/07 - Fisica Applicata(Beni Culturali Ambientali Biol.e Medicin)rare eventsmachine learningcontinuum modelIon channelsgatingddc:530biomimetic nanoporesIon channelbiomimetic nanoporerare eventconductancedescription
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.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2022-06-17 |