Self-assembly of aromatic amino acids: a molecular dynamics study

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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.departmentTAÜ, Fen Fakültesi, Enerji Bilimi ve Teknolojileri Bölümüen_US
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.
dc.description.sponsorship[2016BF0018]
dc.description.sponsorshipThis work was supported by the scientific research project 2016BF0018 of Turkish-German University.
dc.identifier.doi10.1039/c8cp06239k
dc.identifier.endpage30536en_US
dc.identifier.issn1463-9076
dc.identifier.issn1463-9084
dc.identifier.issue48en_US
dc.identifier.scopus2-s2.0-85058534511
dc.identifier.scopusqualityQ1
dc.identifier.startpage30525en_US
dc.identifier.urihttp://doi.org/10.1039/c8cp06239k
dc.identifier.urihttps://hdl.handle.net/20.500.12846/212
dc.identifier.volume20en_US
dc.identifier.wosWOS:000453231100042
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.institutionauthorUyaver, Şahin
dc.institutionauthorHabiboğlu, Mehmet Gökhan
dc.language.isoen
dc.publisherRoyal Soc Chemistry
dc.relation.ispartofPhysical Chemistry Chemical Physics
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.titleSelf-assembly of aromatic amino acids: a molecular dynamics study
dc.typeArticle

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WoS İndeksli Yayınlar Koleksiyonu
Enerji Bilimi ve Teknolojileri
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Scopus İndeksli Yayınlar Koleksiyonu