Computational prediction of actin-actin interaction

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dc.authoridunlu, ayhan/0000-0001-6033-7148
dc.authorwosidunlu, ayhan/Q-1843-2016
dc.contributor.authorUnlu, Ayhan
dc.date.accessioned2024-06-12T11:01:46Z
dc.date.available2024-06-12T11:01:46Z
dc.date.issued2014
dc.departmentTrakya Üniversitesien_US
dc.description.abstractActin is one of the most abundant proteins in eukaryotic cells, where it plays key roles in cell shape, motility, and regulation. Actin is found in globular (G) and filamentous (F) structure in the cell. The helix of actin occurs as a result of polymerization of monomeric G-actin molecules through sequential rowing, is called F-actin. Recently, the crystal structure of an actin dimer has been reported, which details molecular interface in F-actin. In this study, the computational prediction model of actin and actin complex has been constructed base on the atomic model structure of G-actin. To this end, a docking simulation was carried out using predictive docking tools to obtain modeled structures of the actin-actin complex. Following molecular dynamics refinement, hot spots interactions at the protein interface were identified, that were predicted to contribute substantially to the free energy of binding. These provided a detailed prediction of key amino acid interactions at the protein-protein interface. The obtained model can be used for future experimental and computational studies to draw biological and functional conclusions. Also, the identified interactions will be used for designing next studies to understand the occurrence of F-actin structure.en_US
dc.identifier.doi10.1007/s11033-013-2869-8
dc.identifier.endpage364en_US
dc.identifier.issn0301-4851
dc.identifier.issn1573-4978
dc.identifier.issue1en_US
dc.identifier.pmid24242338en_US
dc.identifier.scopus2-s2.0-84891915250en_US
dc.identifier.scopusqualityQ2en_US
dc.identifier.startpage355en_US
dc.identifier.urihttps://doi.org/10.1007/s11033-013-2869-8
dc.identifier.urihttps://hdl.handle.net/20.500.14551/21006
dc.identifier.volume41en_US
dc.identifier.wosWOS:000329100500040en_US
dc.identifier.wosqualityQ3en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.indekslendigikaynakPubMeden_US
dc.language.isoenen_US
dc.publisherSpringeren_US
dc.relation.ispartofMolecular Biology Reportsen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectF-Actinen_US
dc.subjectG-Actinen_US
dc.subjectProtein-Protein Interactionen_US
dc.subjectDockingen_US
dc.subjectHot Spotsen_US
dc.subjectProtein-Protein Interactionsen_US
dc.subjectHot-Spotsen_US
dc.subjectFilamenten_US
dc.subjectDockingen_US
dc.subjectDynamicsen_US
dc.subjectBindingen_US
dc.subjectCytoskeletonen_US
dc.subjectComplexesen_US
dc.subjectClusproen_US
dc.subjectEnergyen_US
dc.titleComputational prediction of actin-actin interactionen_US
dc.typeArticleen_US

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