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000872831 1001_ $$0P:(DE-HGF)0$$aDimura, Mykola$$b0
000872831 245__ $$aAutomated and Optimally FRET-Assisted Structural Modeling
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000872831 520__ $$aFRET experiments can yield state-specific structural information on complex dynamic biomolecular assemblies. However, FRET experiments need to be combined with computer simulations to overcome their sparsity. We introduce (i) an automated FRET experiment design tool determining optimal FRET pairs for structural modeling, (ii) a protocol for efficient FRET-assisted computational structural modeling at multiple scales, and (iii) a quantitative quality estimate for judging the accuracy of determined structures. We tested against simulated and experimental data.
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000872831 7001_ $$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.
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