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
{"title":"离子通道研究的计算方法和理论。","authors":"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","doi":"10.1080/23746149.2022.2080587","DOIUrl":null,"url":null,"abstract":"<p><p>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.</p>","PeriodicalId":7374,"journal":{"name":"Advances in Physics: X","volume":null,"pages":null},"PeriodicalIF":7.7000,"publicationDate":"2022-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9302924/pdf/nihms-1821206.pdf","citationCount":"0","resultStr":"{\"title\":\"Computational methods and theory for ion channel research.\",\"authors\":\"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\",\"doi\":\"10.1080/23746149.2022.2080587\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>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.</p>\",\"PeriodicalId\":7374,\"journal\":{\"name\":\"Advances in Physics: X\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":7.7000,\"publicationDate\":\"2022-01-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9302924/pdf/nihms-1821206.pdf\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Advances in Physics: X\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://doi.org/10.1080/23746149.2022.2080587\",\"RegionNum\":2,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"PHYSICS, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Advances in Physics: X","FirstCategoryId":"101","ListUrlMain":"https://doi.org/10.1080/23746149.2022.2080587","RegionNum":2,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"PHYSICS, MULTIDISCIPLINARY","Score":null,"Total":0}
Computational methods and theory for ion channel research.
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.
期刊介绍:
Advances in Physics: X is a fully open-access journal that promotes the centrality of physics and physical measurement to modern science and technology. Advances in Physics: X aims to demonstrate the interconnectivity of physics, meaning the intellectual relationships that exist between one branch of physics and another, as well as the influence of physics across (hence the “X”) traditional boundaries into other disciplines including:
Chemistry
Materials Science
Engineering
Biology
Medicine