Evidence map›Paper›PMID 33106483›Full record

ArticleNature communications2020

Automated and optimally FRET-assisted structural modeling.

Mykola Dimura, Thomas-Otavio Peulen, Hugo Sanabria, Dmitro Rodnin, Katherina Hemmen, Christian A Hanke, Claus A M Seidel, Holger Gohlke

Abstract readEvaluation Study
In one paragraph

Article in Nature communications, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 37 papers.

0numbers the graph read from it
0cells of the map it votes in
37citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

37 citing papers in PubMed.

  1. Article
  2. FRET-guided selection of RNA 3D structures.Nucleic acids research · 2026
    Article
  3. Article
  4. FAMP: A Software Framework for FRET-Based Integrative Modeling of RNA.Methods in molecular biology (Clifton, N.J.) · 2026
    Article
  5. Article
  6. Article
  7. Article
  8. Protein Modeling with DEER Spectroscopy.Annual review of biophysics · 2025
    Review
  9. Energy landscape analysis of the development of the chromosome structure across the cell cycle.Proceedings of the National Academy of Sciences of the United States of America · 2025
    Article
  10. Article
  11. Article
  12. Article
  13. Article
  14. Article
  15. Article
  16. FRET-guided modeling of nucleic acids.Nucleic acids research · 2024
    Article
  17. Review
  18. Article
  19. Article
  20. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

8 authors.

Mykola DimuraChair for Molecular Physical Chemistry, Heinrich Heine University Düsseldorf, 40225, Düsseldorf, Germany.ORCID 0000-0002-9462-0264
Thomas-Otavio PeulenChair for Molecular Physical Chemistry, Heinrich Heine University Düsseldorf, 40225, Düsseldorf, Germany.ORCID 0000-0001-8478-9755
Hugo SanabriaChair for Molecular Physical Chemistry, Heinrich Heine University Düsseldorf, 40225, Düsseldorf, Germany.ORCID 0000-0001-7068-6827
Dmitro RodninChair for Molecular Physical Chemistry, Heinrich Heine University Düsseldorf, 40225, Düsseldorf, Germany.
Katherina HemmenChair for Molecular Physical Chemistry, Heinrich Heine University Düsseldorf, 40225, Düsseldorf, Germany.ORCID 0000-0003-1852-6513
Christian A HankeChair for Molecular Physical Chemistry, Heinrich Heine University Düsseldorf, 40225, Düsseldorf, Germany.ORCID 0000-0002-4826-4908
Claus A M SeidelChair for Molecular Physical Chemistry, Heinrich Heine University Düsseldorf, 40225, Düsseldorf, Germany. cseidel@hhu.de.ORCID 0000-0002-5171-149X
Holger GohlkeInstitute for Pharmaceutical and Medicinal Chemistry, Heinrich Heine University Düsseldorf, 40225, Düsseldorf, Germany. gohlke@uni-duesseldorf.de.ORCID 0000-0001-8613-1447

Funding

Tissue Structural and Neural Remodeling in Human Sacroiliac JointP20GM121342 · NIGMS · CLEMSON UNIVERSITY · PI Peng Chen · 2018 to 2026
$24.7M
NIGMS NIH HHS P20 GM121342
6 · The paper itself

Abstract

FRET experiments can provide state-specific structural information of complex dynamic biomolecular assemblies. However, to overcome the sparsity of FRET experiments, they need to be combined with computer simulations. We introduce a program suite with (i) an automated design tool for FRET experiments, which determines how many and which FRET pairs should be used to minimize the uncertainty and maximize the accuracy of an integrative structure, (ii) an efficient approach for FRET-assisted coarse-grained structural modeling, and all-atom molecular dynamics simulations-based refinement, and (iii) a quantitative quality estimate for judging the accuracy of FRET-derived structures as opposed to precision. We benchmark our tools against simulated and experimental data of proteins with multiple conformational states and demonstrate an accuracy of ~3 Å RMSD

Indexed as

AutomationComputer SimulationFluorescence Resonance Energy TransferModels, StructuralProtein ConformationProteinsSoftwareWeb BrowserProteins

Identifiers

PMID33106483
PMCPMC7589535

What OpenQuestion holds

Textmetadata
LicenceCC BY
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.