000872831 001__ 872831 000872831 005__ 20210130004312.0 000872831 0247_ $$2doi$$a10.1016/j.bpj.2018.11.1815 000872831 0247_ $$2ISSN$$a0006-3495 000872831 0247_ $$2ISSN$$a1542-0086 000872831 0247_ $$2Handle$$a2128/23911 000872831 0247_ $$2altmetric$$aaltmetric:66014201 000872831 0247_ $$2WOS$$aWOS:000460779801663 000872831 037__ $$aFZJ-2020-00301 000872831 082__ $$a570 000872831 1001_ $$0P:(DE-HGF)0$$aDimura, Mykola$$b0 000872831 245__ $$aAutomated and Optimally FRET-Assisted Structural Modeling 000872831 260__ $$aBethesda, Md.$$bSoc.$$c2019 000872831 3367_ $$2DRIVER$$aarticle 000872831 3367_ $$2DataCite$$aOutput Types/Journal article 000872831 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article$$bjournal$$mjournal$$s1579253801_3381 000872831 3367_ $$2BibTeX$$aARTICLE 000872831 3367_ $$2ORCID$$aJOURNAL_ARTICLE 000872831 3367_ $$00$$2EndNote$$aJournal Article 000872831 520__ $$aFRET experiments can yield state-specific structural information on complex dynamic biomolecular assemblies. However, FRET experiments need to be combined with computer simulations to overcome their sparsity. We introduce (i) an automated FRET experiment design tool determining optimal FRET pairs for structural modeling, (ii) a protocol for efficient FRET-assisted computational structural modeling at multiple scales, and (iii) a quantitative quality estimate for judging the accuracy of determined structures. We tested against simulated and experimental data. 000872831 536__ $$0G:(DE-HGF)POF3-551$$a551 - Functional Macromolecules and Complexes (POF3-551)$$cPOF3-551$$fPOF III$$x0 000872831 588__ $$aDataset connected to CrossRef 000872831 7001_ $$0P:(DE-HGF)0$$aOttavio Peulen, Thomas$$b1 000872831 7001_ $$0P:(DE-HGF)0$$aSanabria, Hugo$$b2 000872831 7001_ $$0P:(DE-HGF)0$$aRodnin, Dmitro$$b3 000872831 7001_ $$0P:(DE-HGF)0$$aHemmen, Katherina$$b4 000872831 7001_ $$0P:(DE-Juel1)IHRS-BioSoft-20911$$aSeidel, Claus A. M.$$b5$$eCorresponding author 000872831 7001_ $$0P:(DE-Juel1)172663$$aGohlke, Holger$$b6$$eCorresponding author$$ufzj 000872831 773__ $$0PERI:(DE-600)1477214-0$$a10.1016/j.bpj.2018.11.1815$$gVol. 116, no. 3, p. 333a -$$n3, Suppl 1$$p333a -$$tBiophysical journal$$v116$$x0006-3495$$y2019 000872831 8564_ $$uhttps://juser.fz-juelich.de/record/872831/files/Automated%20and%20optimally%20FRET-assisted%20structural%20modeling.pdf$$yPublished on 2019-02-15. Available in OpenAccess from 2020-02-15. 000872831 8564_ $$uhttps://juser.fz-juelich.de/record/872831/files/Automated%20and%20optimally%20FRET-assisted%20structural%20modeling.pdf?subformat=pdfa$$xpdfa$$yPublished on 2019-02-15. Available in OpenAccess from 2020-02-15. 000872831 909CO $$ooai:juser.fz-juelich.de:872831$$pdnbdelivery$$pdriver$$pVDB$$popen_access$$popenaire 000872831 9101_ $$0I:(DE-HGF)0$$6P:(DE-Juel1)IHRS-BioSoft-20911$$aExternal Institute$$b5$$kExtern 000872831 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)172663$$aForschungszentrum Jülich$$b6$$kFZJ 000872831 9131_ $$0G:(DE-HGF)POF3-551$$1G:(DE-HGF)POF3-550$$2G:(DE-HGF)POF3-500$$3G:(DE-HGF)POF3$$4G:(DE-HGF)POF$$aDE-HGF$$bKey Technologies$$lBioSoft – Fundamentals for future Technologies in the fields of Soft Matter and Life Sciences$$vFunctional Macromolecules and Complexes$$x0 000872831 9141_ $$y2019 000872831 915__ $$0StatID:(DE-HGF)0200$$2StatID$$aDBCoverage$$bSCOPUS 000872831 915__ $$0StatID:(DE-HGF)1030$$2StatID$$aDBCoverage$$bCurrent Contents - Life Sciences 000872831 915__ $$0StatID:(DE-HGF)0530$$2StatID$$aEmbargoed OpenAccess 000872831 915__ $$0StatID:(DE-HGF)0100$$2StatID$$aJCR$$bBIOPHYS J : 2017 000872831 915__ $$0StatID:(DE-HGF)0150$$2StatID$$aDBCoverage$$bWeb of Science Core Collection 000872831 915__ $$0StatID:(DE-HGF)0110$$2StatID$$aWoS$$bScience Citation Index 000872831 915__ $$0StatID:(DE-HGF)0111$$2StatID$$aWoS$$bScience Citation Index Expanded 000872831 915__ $$0StatID:(DE-HGF)9900$$2StatID$$aIF < 5 000872831 915__ $$0StatID:(DE-HGF)0310$$2StatID$$aDBCoverage$$bNCBI Molecular Biology Database 000872831 915__ $$0StatID:(DE-HGF)1050$$2StatID$$aDBCoverage$$bBIOSIS Previews 000872831 915__ $$0StatID:(DE-HGF)0300$$2StatID$$aDBCoverage$$bMedline 000872831 915__ $$0StatID:(DE-HGF)0320$$2StatID$$aDBCoverage$$bPubMed Central 000872831 915__ $$0StatID:(DE-HGF)0199$$2StatID$$aDBCoverage$$bClarivate Analytics Master Journal List 000872831 920__ $$lyes 000872831 9201_ $$0I:(DE-Juel1)ICS-6-20110106$$kICS-6$$lStrukturbiochemie$$x0 000872831 9801_ $$aFullTexts 000872831 980__ $$ajournal 000872831 980__ $$aVDB 000872831 980__ $$aUNRESTRICTED 000872831 980__ $$aI:(DE-Juel1)ICS-6-20110106 000872831 981__ $$aI:(DE-Juel1)IBI-7-20200312