Please use this identifier to cite or link to this item: https://hdl.handle.net/20.500.11851/5838
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dc.contributor.authorBaştuğ Turgut-
dc.contributor.authorKuyucak, S.-
dc.date.accessioned2021-09-11T15:20:18Z-
dc.date.available2021-09-11T15:20:18Z-
dc.date.issued2012en_US
dc.identifier.issn1867-2450-
dc.identifier.urihttps://doi.org/10.1007/s12551-012-0084-9-
dc.identifier.urihttps://hdl.handle.net/20.500.11851/5838-
dc.description.abstractMembrane proteins control the traffic across cell membranes and thereby play an essential role in cell function from transport of various solutes to immune response via molecular recognition. Because it is very difficult to determine the structures of membrane proteins experimentally, computational methods have been increasingly used to study their structure and function. Here we focus on two classes of membrane proteins-ion channels and transporters-which are responsible for the generation of action potentials in nerves, muscles, and other excitable cells. We describe how computational methods have been used to construct models for these proteins and to study the transport mechanism. The main computational tool is the molecular dynamics (MD) simulation, which can be used for everything from refinement of protein structures to free energy calculations of transport processes. We illustrate with specific examples from gramicidin and potassium channels and aspartate transporters how the function of these membrane proteins can be investigated using MD simulations. © 2012 International Union for Pure and Applied Biophysics (IUPAB) and Springer.en_US
dc.description.sponsorshipAustralian Research Council Consejo Nacional de Investigaciones Científicas y Técnicasen_US
dc.language.isoenen_US
dc.publisherSpringer Verlagen_US
dc.relation.ispartofBiophysical Reviewsen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectFree energy calculationsen_US
dc.subjectIon channelsen_US
dc.subjectMolecular dynamicsen_US
dc.subjectTransportersen_US
dc.titleMolecular Dynamics Simulations of Membrane Proteinsen_US
dc.typeReviewen_US
dc.departmentFaculties, Faculty of Engineering, Department of Material Science and Nanotechnology Engineeringen_US
dc.departmentFakülteler, Mühendislik Fakültesi, Malzeme Bilimi ve Nanoteknoloji Mühendisliği Bölümütr_TR
dc.identifier.volume4en_US
dc.identifier.issue3en_US
dc.identifier.startpage271en_US
dc.identifier.endpage282en_US
dc.identifier.scopus2-s2.0-84873129310en_US
dc.institutionauthorBaştuğ, Turgut-
dc.identifier.doi10.1007/s12551-012-0084-9-
dc.relation.publicationcategoryDiğeren_US
dc.identifier.scopusqualityQ1-
item.openairetypeReview-
item.languageiso639-1en-
item.grantfulltextnone-
item.fulltextNo Fulltext-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.cerifentitytypePublications-
Appears in Collections:Malzeme Bilimi ve Nanoteknoloji Mühendisliği Bölümü / Department of Material Science & Nanotechnology Engineering
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
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