Journal Article FZJ-2020-00301

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Automated and Optimally FRET-Assisted Structural Modeling

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2019
Soc. Bethesda, Md.

Biophysical journal 116(3, Suppl 1) 333a - () [10.1016/j.bpj.2018.11.1815]

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Abstract: 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.

Classification:

Contributing Institute(s):
  1. Strukturbiochemie (ICS-6)
Research Program(s):
  1. 551 - Functional Macromolecules and Complexes (POF3-551) (POF3-551)

Appears in the scientific report 2019
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Open Access

 Record created 2020-01-17, last modified 2021-01-30


Published on 2019-02-15. Available in OpenAccess from 2020-02-15.:
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