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Anharmonicity, mode-coupling and entropy in a fluctuating native protein

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dc.contributor.departmentDepartment of Computer Engineering
dc.contributor.departmentDepartment of Physics
dc.contributor.departmentDepartment of Chemical and Biological Engineering
dc.contributor.facultymemberYes
dc.contributor.kuauthorErman, Burak
dc.contributor.kuauthorGür, Mert
dc.contributor.kuauthorKabakçıoğlu, Alkan
dc.contributor.kuauthorYüret, Deniz
dc.contributor.schoolcollegeinstituteCollege of Engineering
dc.contributor.schoolcollegeinstituteCollege of Sciences
dc.date.accessioned2024-11-09T23:34:18Z
dc.date.issued2010
dc.description.abstractWe develop a general framework for the analysis of residue fluctuations that simultaneously incorporates anharmonicity and mode-coupling in a unified formalism. We show that both deviations from the Gaussian model are important for modeling the multidimensional energy landscape of the protein Crambin (1EJG) in the vicinity of its native state. the effect of anharmonicity and mode-coupling on the fluctuational entropy is in the order of a few percent.
dc.description.fulltextNo
dc.description.harvestedfromManual
dc.description.indexedbyWOS
dc.description.indexedbyScopus
dc.description.indexedbyPubMed
dc.description.openaccessNO
dc.description.peerreviewstatusN/A
dc.description.publisherscopeInternational
dc.description.readpublishN/A
dc.description.sponsoredbyTubitakEuN/A
dc.description.studentonlypublicationNo
dc.description.studentpublicationYes
dc.description.versionN/A
dc.identifier.WoSQuartileQ4
dc.identifier.doi10.1088/1478-3975/7/4/046005
dc.identifier.eissn1478-3975
dc.identifier.embargoN/A
dc.identifier.issn1478-3967
dc.identifier.issue4
dc.identifier.pubmed20978313
dc.identifier.scopus2-s2.0-79551489983
dc.identifier.urihttps://doi.org/10.1088/1478-3975/7/4/046005
dc.identifier.urihttps://hdl.handle.net/20.500.14288/12328
dc.identifier.volume7
dc.identifier.wos000285334500012
dc.keywordsDynamics
dc.keywordsCrambin
dc.keywordsMultidimensional analysis
dc.keywordsProtein conformation
dc.keywordsStatistical mechanics protein
dc.keywordsResidue fluctuations
dc.keywordsAnharmonicity
dc.language.isoeng
dc.publisherIOP Publishing Ltd
dc.relation.affiliationKoç University
dc.relation.collectionKoç University Institutional Repository
dc.relation.ispartofPhysical Biology
dc.relation.openaccessN/A
dc.rightsN/A
dc.subjectBiochemistry
dc.subjectMolecular biology
dc.subjectBiophysics
dc.subjectFluctuational entropy
dc.subjectGaussian model deviations
dc.subjectProtein residue fluctuations
dc.titleAnharmonicity, mode-coupling and entropy in a fluctuating native protein
dc.typeJournal Article
dspace.entity.typePublication
local.contributor.kuauthorKabakçıoğlu, Alkan
local.contributor.kuauthorYüret, Deniz
local.contributor.kuauthorGür, Mert
local.contributor.kuauthorErman, Burak
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