Evidence map›Paper›PMID 33139729›Full record

ArticleNature communications2020

Rapid and accurate determination of atomistic RNA dynamic ensemble models using NMR and structure prediction.

Honglue Shi, Atul Rangadurai, Hala Abou Assi, Rohit Roy, David A Case, Daniel Herschlag, Joseph D Yesselman, Hashim M Al-Hashimi

Open access · goldAbstract read
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 47 papers.

0numbers the graph read from it
0cells of the map it votes in
47citing papers in PubMed
4.2field-weighted citation impact, top 5% of its field
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

47 citing papers in PubMed, 82 citations in OpenAlex.

  1. Article
  2. Article
  3. Article
  4. Special Issue "Application of NMR Spectroscopy in Biomolecules".International journal of molecular sciences · 2026
    Article
  5. Article
  6. Article
  7. Article
  8. Article
  9. Article
  10. Ligand-binding pockets in RNA and where to find them.Proceedings of the National Academy of Sciences of the United States of America · 2025
    Article
  11. Review
  12. Article
  13. Review
  14. Review
  15. FRET-guided modeling of nucleic acids.Nucleic acids research · 2024
    Article
  16. Review
  17. Article
  18. Hierarchical Assembly of Single-Stranded RNA.Journal of chemical theory and computation · 2024
    Article
  19. Review
  20. sRNA Structural Modeling Based on NMR Data.Methods in molecular biology (Clifton, N.J.) · 2024
    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 at 4 institutions in 2 countries.

Honglue ShiDepartment of Chemistry, Duke University, Durham, NC, 27710, USA.ORCID 0000-0003-3847-1652
Atul RangaduraiDepartment of Biochemistry, Duke University School of Medicine, Durham, NC, 27710, USA.
Hala Abou AssiDepartment of Biochemistry, Duke University School of Medicine, Durham, NC, 27710, USA.
Rohit RoyCenter for Genomic and Computational Biology, Duke University School of Medicine, Durham, NC, 27710, USA.
David A CaseDepartment of Chemistry and Chemical Biology, Rutgers University, Piscataway, NJ, 08854, USA. david.case@rutgers.edu.
Daniel HerschlagDepartment of Biochemistry, Stanford University, Stanford, CA, 94305, USA. herschla@stanford.edu.
Joseph D YesselmanDepartment of Chemistry, University of Nebraska-Lincoln, Lincoln, NE, 68588, USA. jyesselm@unl.edu.
Hashim M Al-HashimiDepartment of Chemistry, Duke University, Durham, NC, 27710, USA. hashim.al.hashimi@duke.edu.ORCID 0000-0003-0681-1747
Duke University · USCardiovascular Institute of the South · USRutgers, The State University of New Jersey · USUniversity of Nebraska–Lincoln · US

Funding

The Center for HIV RNA Studies (CRNA)U54AI150470 · NIAID · UNIVERSITY OF MICHIGAN AT ANN ARBOR · PI TOLBERT, BLANTON SMITH · 2019 to 2021
$15.1M
Fundamental Studies of RNA Conformational ThermodynamicsR01GM132899 · NIGMS · STANFORD UNIVERSITY · PI AL-HASHIMI, HASHIM M, HERSCHLAG, DANIEL · 2019 to 2022
$2.7M
NIAID NIH HHS U54 AI150470NIGMS NIH HHS R01 GM132899
6 · The paper itself

Abstract

Biomolecules form dynamic ensembles of many inter-converting conformations which are key for understanding how they fold and function. However, determining ensembles is challenging because the information required to specify atomic structures for thousands of conformations far exceeds that of experimental measurements. We addressed this data gap and dramatically simplified and accelerated RNA ensemble determination by using structure prediction tools that leverage the growing database of RNA structures to generate a conformation library. Refinement of this library with NMR residual dipolar couplings provided an atomistic ensemble model for HIV-1 TAR, and the model accuracy was independently supported by comparisons to quantum-mechanical calculations of NMR chemical shifts, comparison to a crystal structure of a substate, and through designed ensemble redistribution via atomic mutagenesis. Applications to TAR bulge variants and more complex tertiary RNAs support the generality of this approach and the potential to make the determination of atomic-resolution RNA ensembles routine.

Indexed as

RNA FoldingCheminformaticsHIV-1HIV Long Terminal RepeatModels, ChemicalMolecular Dynamics SimulationNuclear Magnetic Resonance, BiomolecularRNA, ViralRNA, Viral

Identifiers

PMID33139729
PMCPMC7608651
OpenAlexW3094645514

What OpenQuestion holds

Textmetadata
LicenceCC BY
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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.