000884703 001__ 884703
000884703 005__ 20240625095128.0
000884703 0247_ $$2doi$$a10.3390/molecules25184299
000884703 0247_ $$2Handle$$a2128/25786
000884703 0247_ $$2pmid$$apmid:32961709
000884703 0247_ $$2WOS$$aWOS:000580248700001
000884703 037__ $$aFZJ-2020-03204
000884703 082__ $$a540
000884703 1001_ $$0P:(DE-Juel1)173772$$aSi Chaib, Zeineb$$b0$$ufzj
000884703 245__ $$aImpact of Cholesterol on the Stability of Monomeric and Dimeric Forms of the Translocator Protein TSPO: A Molecular Simulation Study
000884703 260__ $$aBasel$$bMDPI70206$$c2020
000884703 3367_ $$2DRIVER$$aarticle
000884703 3367_ $$2DataCite$$aOutput Types/Journal article
000884703 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article$$bjournal$$mjournal$$s1601459473_25205
000884703 3367_ $$2BibTeX$$aARTICLE
000884703 3367_ $$2ORCID$$aJOURNAL_ARTICLE
000884703 3367_ $$00$$2EndNote$$aJournal Article
000884703 520__ $$aThe translocator protein (TSPO) is a transmembrane protein present across the three domains of life. Its functional quaternary structure consists of one or more subunits. In mice, the dimer-to-monomer equilibrium is shifted in vitro towards the monomer by adding cholesterol, a natural component of mammalian membranes. Here, we present a coarse-grained molecular dynamics study on the mouse protein in the presence of a physiological content and of an excess of cholesterol. The latter turns out to weaken the interfaces of the dimer by clusterizing mostly at the inter-monomeric space and pushing the contact residues apart. It also increases the compactness and the rigidity of the monomer. These two factors might play a role for the experimentally observed incremented stability of the monomeric form with increased content of cholesterol. Comparison with simulations on bacterial proteins suggests that the effect of cholesterol is much less pronounced for the latter than for the mouse protein
000884703 536__ $$0G:(DE-HGF)POF3-511$$a511 - Computational Science and Mathematical Methods (POF3-511)$$cPOF3-511$$fPOF III$$x0
000884703 536__ $$0G:(DE-HGF)POF3-574$$a574 - Theory, modelling and simulation (POF3-574)$$cPOF3-574$$fPOF III$$x1
000884703 536__ $$0G:(DE-Juel1)PHD-NO-GRANT-20170405$$aPhD no Grant - Doktorand ohne besondere Förderung (PHD-NO-GRANT-20170405)$$cPHD-NO-GRANT-20170405$$x2
000884703 588__ $$aDataset connected to CrossRef
000884703 7001_ $$0P:(DE-Juel1)184958$$aMarchetto, Alessandro$$b1$$ufzj
000884703 7001_ $$0P:(DE-HGF)0$$aDishnica, Klevia$$b2
000884703 7001_ $$0P:(DE-Juel1)145614$$aCarloni, Paolo$$b3
000884703 7001_ $$0P:(DE-Juel1)165199$$aGiorgetti, Alejandro$$b4$$ufzj
000884703 7001_ $$0P:(DE-Juel1)145921$$aRossetti, Giulia$$b5$$eCorresponding author
000884703 773__ $$0PERI:(DE-600)2008644-1$$a10.3390/molecules25184299$$gVol. 25, no. 18, p. 4299 -$$n18$$p4299 -$$tMolecules$$v25$$x1420-3049$$y2020
000884703 8564_ $$uhttps://juser.fz-juelich.de/record/884703/files/Invoice_MDPI_920512_1575.09EUR.pdf
000884703 8564_ $$uhttps://juser.fz-juelich.de/record/884703/files/Invoice_MDPI_920512_1575.09EUR.pdf?subformat=pdfa$$xpdfa
000884703 8564_ $$uhttps://juser.fz-juelich.de/record/884703/files/molecules-25-04299.pdf$$yOpenAccess
000884703 8564_ $$uhttps://juser.fz-juelich.de/record/884703/files/molecules-25-04299.pdf?subformat=pdfa$$xpdfa$$yOpenAccess
000884703 8767_ $$8molecules-920512$$92020-09-16$$d2020-09-23$$eAPC$$jZahlung erfolgt$$zBelegnr.: 1200157463
000884703 909CO $$ooai:juser.fz-juelich.de:884703$$pdnbdelivery$$popenCost$$pVDB$$pdriver$$pOpenAPC$$popen_access$$popenaire
000884703 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)173772$$aForschungszentrum Jülich$$b0$$kFZJ
000884703 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)184958$$aForschungszentrum Jülich$$b1$$kFZJ
000884703 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)145614$$aForschungszentrum Jülich$$b3$$kFZJ
000884703 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)165199$$aForschungszentrum Jülich$$b4$$kFZJ
000884703 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)145921$$aForschungszentrum Jülich$$b5$$kFZJ
000884703 9131_ $$0G:(DE-HGF)POF3-511$$1G:(DE-HGF)POF3-510$$2G:(DE-HGF)POF3-500$$3G:(DE-HGF)POF3$$4G:(DE-HGF)POF$$aDE-HGF$$bKey Technologies$$lSupercomputing & Big Data$$vComputational Science and Mathematical Methods$$x0
000884703 9131_ $$0G:(DE-HGF)POF3-574$$1G:(DE-HGF)POF3-570$$2G:(DE-HGF)POF3-500$$3G:(DE-HGF)POF3$$4G:(DE-HGF)POF$$aDE-HGF$$bKey Technologies$$lDecoding the Human Brain$$vTheory, modelling and simulation$$x1
000884703 9141_ $$y2020
000884703 915__ $$0StatID:(DE-HGF)0200$$2StatID$$aDBCoverage$$bSCOPUS$$d2020-01-03
000884703 915__ $$0StatID:(DE-HGF)0160$$2StatID$$aDBCoverage$$bEssential Science Indicators$$d2020-01-03
000884703 915__ $$0LIC:(DE-HGF)CCBY4$$2HGFVOC$$aCreative Commons Attribution CC BY 4.0
000884703 915__ $$0StatID:(DE-HGF)0600$$2StatID$$aDBCoverage$$bEbsco Academic Search$$d2020-01-03
000884703 915__ $$0StatID:(DE-HGF)1150$$2StatID$$aDBCoverage$$bCurrent Contents - Physical, Chemical and Earth Sciences$$d2020-01-03
000884703 915__ $$0StatID:(DE-HGF)0501$$2StatID$$aDBCoverage$$bDOAJ Seal$$d2020-01-03
000884703 915__ $$0StatID:(DE-HGF)0500$$2StatID$$aDBCoverage$$bDOAJ$$d2020-01-03
000884703 915__ $$0StatID:(DE-HGF)0111$$2StatID$$aWoS$$bScience Citation Index Expanded$$d2020-01-03
000884703 915__ $$0StatID:(DE-HGF)0700$$2StatID$$aFees$$d2020-01-03
000884703 915__ $$0StatID:(DE-HGF)0150$$2StatID$$aDBCoverage$$bWeb of Science Core Collection$$d2020-01-03
000884703 915__ $$0StatID:(DE-HGF)0510$$2StatID$$aOpenAccess
000884703 915__ $$0StatID:(DE-HGF)0030$$2StatID$$aPeer Review$$bASC$$d2020-01-03
000884703 915__ $$0StatID:(DE-HGF)0561$$2StatID$$aArticle Processing Charges$$f2020-01-03
000884703 915__ $$0StatID:(DE-HGF)0310$$2StatID$$aDBCoverage$$bNCBI Molecular Biology Database$$d2020-01-03
000884703 915__ $$0StatID:(DE-HGF)0300$$2StatID$$aDBCoverage$$bMedline$$d2020-01-03
000884703 915__ $$0StatID:(DE-HGF)0320$$2StatID$$aDBCoverage$$bPubMed Central$$d2020-01-03
000884703 915__ $$0StatID:(DE-HGF)0199$$2StatID$$aDBCoverage$$bClarivate Analytics Master Journal List$$d2020-01-03
000884703 9201_ $$0I:(DE-Juel1)IAS-5-20120330$$kIAS-5$$lComputational Biomedicine$$x0
000884703 9201_ $$0I:(DE-Juel1)INM-11-20170113$$kINM-11$$lJara-Institut Quantum Information$$x1
000884703 9201_ $$0I:(DE-Juel1)INM-9-20140121$$kINM-9$$lComputational Biomedicine$$x2
000884703 9201_ $$0I:(DE-Juel1)JSC-20090406$$kJSC$$lJülich Supercomputing Center$$x3
000884703 980__ $$ajournal
000884703 980__ $$aVDB
000884703 980__ $$aUNRESTRICTED
000884703 980__ $$aI:(DE-Juel1)IAS-5-20120330
000884703 980__ $$aI:(DE-Juel1)INM-11-20170113
000884703 980__ $$aI:(DE-Juel1)INM-9-20140121
000884703 980__ $$aI:(DE-Juel1)JSC-20090406
000884703 980__ $$aAPC
000884703 9801_ $$aAPC
000884703 9801_ $$aFullTexts