Current challenges and limitations in the studies of intrinsically disordered proteins in neurodegenerative diseases by computer simulations

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dc.contributor.authorAkbayrak, İbrahim Yağız
dc.contributor.authorÇağlayan, Şule İrem
dc.contributor.authorÖzcan, Zilan
dc.contributor.authorUversky, Vladimir
dc.contributor.authorWeber, Orkide Coşkuner
dc.date.accessioned2021-01-08T21:51:31Z
dc.date.available2021-01-08T21:51:31Z
dc.date.issued2020
dc.departmentTAÜ, Fen Fakültesi, Moleküler Biyoteknoloji Bölümüen_US
dc.descriptionPubMed: 33167839en_US
dc.description.abstractExperiments face challenges in the analysis of intrinsically disordered proteins in solution due to fast conformational changes and enhanced aggregation propensity. Computational studies complement experiments, being widely used in the analyses of intrinsically disordered proteins, especially those positioned at the centers of neurodegenerative diseases. However, recent investigations – including our own – revealed that computer simulations face significant challenges and limitations themselves. In this review, we introduced and discussed some of the scientific challenges and limitations of computational studies conducted on intrinsically disordered proteins. We also outlined the importance of future developments in the areas of computational chemistry and computational physics that would be needed for generating more accurate data for intrinsically disordered proteins from computer simulations. Additional theoretical strategies that can be developed are discussed herein. © 2020 Bentham Science Publishers.
dc.identifier.doi10.2174/1567205017666201109094908
dc.identifier.endpage818en_US
dc.identifier.issn1567-2050
dc.identifier.issue9en_US
dc.identifier.scopus2-s2.0-85097399647
dc.identifier.scopusqualityQ2
dc.identifier.startpage805en_US
dc.identifier.urihttps://doi.org/10.2174/1567205017666201109094908
dc.identifier.urihttps://hdl.handle.net/20.500.12846/332
dc.identifier.volume17en_US
dc.identifier.wosWOS:000608897000003
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.institutionauthorWeber, Orkide Coşkuner
dc.language.isoen
dc.publisherBentham Science Publishers
dc.relation.ispartofCurrent Alzheimer Research
dc.relation.publicationcategoryother
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.subjectAlzheimer’s diseaseen_US
dc.subjectAmyloid-?en_US
dc.subjectComputer simulationsen_US
dc.subjectIntrinsically disordered proteinsen_US
dc.subjectNeurodegenerative diseasesen_US
dc.subject?-synucleinen_US
dc.titleCurrent challenges and limitations in the studies of intrinsically disordered proteins in neurodegenerative diseases by computer simulations
dc.typeLetter

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