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dc.contributor.authorUyaver, Şahin
dc.contributor.authorHernandez, Helen W.
dc.contributor.authorHabiboğlu, Mehmet Gökhan
dc.date.accessioned2021-01-08T21:51:23Z
dc.date.available2021-01-08T21:51:23Z
dc.date.issued2018
dc.identifier.issn1463-9076
dc.identifier.issn1463-9084
dc.identifier.urihttp://doi.org/10.1039/c8cp06239k
dc.identifier.urihttps://hdl.handle.net/20.500.12846/212
dc.descriptionHernandez, Helen/0000-0001-5751-3470en_US
dc.descriptionWOS:000453231100042en_US
dc.descriptionPubMed: 30512023en_US
dc.description.abstractThe self assembly processes of aromatic amino acids, phenylalanine, tyrosine, and tryptophan have been simulated and were observed to form fibril-like aggregates linked to certain rare diseases and instances of biological membrane disruption. Pure systems and their mixtures were studied systematically at constant temperatures and free energy landscapes were produced describing the height and the number of assembled monomers associated with lower energy structures. Consistent with some previous work, aromatic amino acid monomers display a tendency to arrange with a four-fold symmetry. The occurrence of this and other ordered structures increases at higher temperatures. At lower temperatures our binary mixture simulations indicate that increasing tryptophan content drives the assembly process away from the formation of distinct nanostructures and toward disordered aggregates which is in line with experimental observations of pure tryptophan solutions. This work provides molecular level insight to a variety of different physical phenomena relevant to fields including human disease.en_US
dc.description.sponsorship[2016BF0018]en_US
dc.description.sponsorshipThis work was supported by the scientific research project 2016BF0018 of Turkish-German University.en_US
dc.language.isoengen_US
dc.publisherRoyal Soc Chemistryen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.titleSelf-assembly of aromatic amino acids: a molecular dynamics studyen_US
dc.typearticleen_US
dc.relation.journalPhysical Chemistry Chemical Physicsen_US
dc.identifier.volume20en_US
dc.identifier.issue48en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.contributor.departmentTAÜ, Fen Fakültesi, Enerji Bilimi ve Teknolojileri Bölümüen_US
dc.contributor.institutionauthorUyaver, Şahin
dc.contributor.institutionauthorHabiboğlu, Mehmet Gökhan
dc.identifier.doi10.1039/c8cp06239k
dc.identifier.startpage30525en_US
dc.identifier.endpage30536en_US
dc.identifier.wosqualityQ1en_US
dc.identifier.scopusqualityQ1en_US
dc.identifier.wosWOS:000453231100042en_US


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