Computational modeling of intrinsically disordered and phase-separated protein states

dc.contributor.authorCoskuner-Weber, Orkid
dc.contributor.authorUversky, Vladimir N.
dc.date.accessioned2025-02-20T08:46:29Z
dc.date.available2025-02-20T08:46:29Z
dc.date.issued2024
dc.departmentTürk-Alman Üniversitesien_US
dc.description.abstractIntrinsically disordered proteins possess ensembles of conformations and lack stable three-dimensional structures. Phase separation is defined as a phenomenon in which proteins and biomolecules, often including intrinsically disordered proteins, separate from the surrounding solution to form membraneless compartments in the cell. Here, we describe various computational methods and algorithms for studying intrinsically disordered proteins and phase-separated protein states. The methods and algorithms described herein include molecular dynamics and Monte Carlo simulations, machine learning with molecular dynamics, coarse-grained simulations, and bioinformatics. © 2025 Elsevier Inc. All rights reserved.
dc.identifier.doi10.1016/B978-0-443-21809-5.00015-6
dc.identifier.endpage397en_US
dc.identifier.isbn978-044321809-5
dc.identifier.isbn978-044321810-1
dc.identifier.scopus2-s2.0-85213176908
dc.identifier.startpage381en_US
dc.identifier.urihttps://doi.org/10.1016/B978-0-443-21809-5.00015-6
dc.identifier.urihttps://hdl.handle.net/20.500.12846/1738
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofThe Three Functional States of Proteins: Structured, Intrinsically Disordered, and Phase Separated
dc.relation.publicationcategoryKitap Bölümü - Uluslararası
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_Scopus_20250220
dc.subjectBioinformaticsen_US
dc.subjectCoarse-grained simulationsen_US
dc.subjectIntrinsically disordered proteinsen_US
dc.subjectMachine learningen_US
dc.subjectMolecular dynamics simulationsen_US
dc.subjectMonte Carlo simulationsen_US
dc.subjectPhase-separated protein statesen_US
dc.titleComputational modeling of intrinsically disordered and phase-separated protein states
dc.typeBook Part

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