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Analysis of correlations between energy and residue fluctuations in native proteins and determination of specific sites for binding

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dc.contributor.coauthorHaliloğlu, Turkan
dc.contributor.departmentDepartment of Chemical and Biological Engineering
dc.contributor.kuauthorErman, Burak
dc.contributor.schoolcollegeinstituteCollege of Engineering
dc.date.accessioned2024-11-09T13:51:37Z
dc.date.issued2009
dc.description.abstractThe Gaussian network model is used to derive the correlations between energy and residue fluctuations in native proteins. Residues are identified that respond strongly to energy fluctuations and that display correlations with the remaining residues of the protein at the highest modes. We postulate that these residues are located at specific sites for drug binding. We test the validity of this postulate on a data set of 33 structurally distinct proteins in the unbound state. Detailed results are presented for drug binding to the HIV protease.
dc.description.fulltextYES
dc.description.indexedbyWOS
dc.description.indexedbyScopus
dc.description.issue8
dc.description.openaccessYES
dc.description.publisherscopeInternational
dc.description.sponsoredbyTubitakEuEU
dc.description.sponsorshipHIV
dc.description.sponsorshipEuropean Union (European Union)
dc.description.sponsorshipBoğaziçi University Funds
dc.description.versionPublisher version
dc.description.volume102
dc.identifier.doi10.1103/PhysRevLett.102.088103
dc.identifier.eissn1079-7114
dc.identifier.embargoNO
dc.identifier.filenameinventorynoIR00802
dc.identifier.issn0031-9007
dc.identifier.quartileQ1
dc.identifier.scopus2-s2.0-61849151934
dc.identifier.urihttps://doi.org/10.1103/PhysRevLett.102.088103
dc.identifier.wos263816200073
dc.keywordsHiv-1 Protease
dc.keywordsHuman-Immunodeficiency
dc.keywordsSingle-Parameter
dc.keywordsFolded Proteins
dc.keywordsMotions
dc.keywordsPrediction
dc.keywordsMutations
dc.keywordsDynamics
dc.language.isoeng
dc.publisherAmerican Physical Society (APS)
dc.relation.grantnoFP6-2004-ACC-SSA-2
dc.relation.grantno517991
dc.relation.grantno08A505D
dc.relation.ispartofPhysical Review Letters
dc.relation.urihttp://cdm21054.contentdm.oclc.org/cdm/ref/collection/IR/id/815
dc.subjectPhysics, Multidisciplinary
dc.titleAnalysis of correlations between energy and residue fluctuations in native proteins and determination of specific sites for binding
dc.typeJournal Article
dspace.entity.typePublication
local.contributor.kuauthorErman, Burak
local.publication.orgunit1College of Engineering
local.publication.orgunit2Department of Chemical and Biological Engineering
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