Current stage and future perspectives for homology modeling, molecular dynamics simulations, machine learning with molecular dynamics, and quantum computing for intrinsically disordered proteins and proteins with intrinsically disordered regions

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dc.authorid0000-0002-0772-9350
dc.contributor.authorCoşkuner Weber, Orkid
dc.contributor.authorUversky, Vladimir N.
dc.date.accessioned2024-05-07T07:42:36Z
dc.date.available2024-05-07T07:42:36Z
dc.date.issued2024
dc.departmentTAÜ, Fen Fakültesi, Moleküler Biyoteknoloji Bölümüen_US
dc.description.abstractThe structural ensembles of intrinsically disordered proteins (IDPs) and proteins with intrinsically disordered regions (IDRs) cannot be easily characterized using conventional experimental techniques. Computational techniques complement experiments and provide useful insights into the structural ensembles of IDPs and proteins with IDRs. Herein, we discuss computational techniques such as homology modeling, molecular dynamics simulations, machine learning with molecular dynamics, and quantum computing that can be applied to the studies of IDPs and hybrid proteins with IDRs. We also provide useful future perspectives for computational techniques that can be applied to IDPs and hybrid proteins containing ordered domains and IDRs.
dc.identifier.citationCoşkuner Weber, O., Uversky, Vladimir N. (2024). Current stage and future perspectives for homology modeling, molecular dynamics simulations, machine learning with molecular dynamics, and quantum computing for intrinsically disordered proteins and proteins with intrinsically disordered regions. Current Protein & Peptide Science, 25 (2), 163-171.
dc.identifier.doi10.2174/0113892037281184231123111223
dc.identifier.endpage171en_US
dc.identifier.issue2en_US
dc.identifier.scopus2-s2.0-85183476289
dc.identifier.startpage163en_US
dc.identifier.urihttps://hdl.handle.net/20.500.12846/1228
dc.identifier.volume25en_US
dc.identifier.wosWOS:001177330400006
dc.indekslendigikaynakScopus
dc.language.isoen
dc.relation.ispartofCurrent Protein & Peptide Science
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectHomology modelingen_US
dc.subjectMolecular dynamics simulationsen_US
dc.subjectMachine learning with molecular dynamicsen_US
dc.subjectQuantum computingen_US
dc.subjectIntrinsically disordered proteinsen_US
dc.subjectProteins with intrinsically disordered regionsen_US
dc.titleCurrent stage and future perspectives for homology modeling, molecular dynamics simulations, machine learning with molecular dynamics, and quantum computing for intrinsically disordered proteins and proteins with intrinsically disordered regions
dc.typeArticle

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