This title appears in the Scientific Report :
2019
Please use the identifier:
http://dx.doi.org/10.1016/j.bpj.2018.11.1815 in citations.
Please use the identifier: http://hdl.handle.net/2128/23911 in citations.
Automated and Optimally FRET-Assisted Structural Modeling
Automated and Optimally FRET-Assisted Structural Modeling
FRET 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 fo...
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Personal Name(s): | Dimura, Mykola |
---|---|
Ottavio Peulen, Thomas / Sanabria, Hugo / Rodnin, Dmitro / Hemmen, Katherina / Seidel, Claus A. M. (Corresponding author) / Gohlke, Holger (Corresponding author) | |
Contributing Institute: |
Strukturbiochemie; ICS-6 |
Published in: | Biophysical journal, 116 (2019) 3, Suppl 1, S. 333a - |
Imprint: |
Bethesda, Md.
Soc.
2019
|
DOI: |
10.1016/j.bpj.2018.11.1815 |
Document Type: |
Journal Article |
Research Program: |
Functional Macromolecules and Complexes |
Link: |
Published on 2019-02-15. Available in OpenAccess from 2020-02-15. Published on 2019-02-15. Available in OpenAccess from 2020-02-15. |
Publikationsportal JuSER |
Please use the identifier: http://hdl.handle.net/2128/23911 in citations.
FRET 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. |