Evidence mapPaperPMID 40586311Full record

ArticleNucleic acids research2025

Structural heterogeneity and dynamics in the apical stem loop of s2m from SARS-CoV-2 Delta by an integrative NMR spectroscopy and MD simulation approach.

Maria A Wirtz Martin, Joseph A Makowski, Tobias Matzel, Adam H Kensinger, Alexander Herr, Christian Richter, Hendrik R A Jonker, Anna Wacker, Jeffrey D Evanseck, Harald Schwalbe

Abstract read
In one paragraph

Article in Nucleic acids research, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.

0numbers the graph read from it
0cells of the map it votes in
5citing 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

5 citing papers in PubMed.

  1. Article
  2. How does NMR support SARS-CoV-2 protein-ligand interaction studies?Analytical and bioanalytical chemistry · 2026
    Review
  3. Article
  4. Biomolecular NMR assignments · 2025
    Article
  5. 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

10 authors.

Maria A Wirtz MartinInstitute for Organic Chemistry and Chemical Biology, Center for Biomolecular Magnetic Resonance (BMRZ), Goethe University Frankfurt, Max-von-Laue-Str. 7, 60438 Frankfurt, Germany.
Joseph A MakowskiDepartment of Chemistry and Biochemistry and Center for Computational Sciences, Duquesne University, Pittsburgh, PA 15282, United States.
Tobias MatzelInstitute for Organic Chemistry and Chemical Biology, Center for Biomolecular Magnetic Resonance (BMRZ), Goethe University Frankfurt, Max-von-Laue-Str. 7, 60438 Frankfurt, Germany.
Adam H KensingerDepartment of Chemistry and Biochemistry and Center for Computational Sciences, Duquesne University, Pittsburgh, PA 15282, United States.
Alexander HerrInstitute for Organic Chemistry and Chemical Biology, Center for Biomolecular Magnetic Resonance (BMRZ), Goethe University Frankfurt, Max-von-Laue-Str. 7, 60438 Frankfurt, Germany.
Christian RichterInstitute for Organic Chemistry and Chemical Biology, Center for Biomolecular Magnetic Resonance (BMRZ), Goethe University Frankfurt, Max-von-Laue-Str. 7, 60438 Frankfurt, Germany.
Hendrik R A JonkerInstitute for Organic Chemistry and Chemical Biology, Center for Biomolecular Magnetic Resonance (BMRZ), Goethe University Frankfurt, Max-von-Laue-Str. 7, 60438 Frankfurt, Germany.
Anna WackerInstitute for Organic Chemistry and Chemical Biology, Center for Biomolecular Magnetic Resonance (BMRZ), Goethe University Frankfurt, Max-von-Laue-Str. 7, 60438 Frankfurt, Germany.
Jeffrey D EvanseckDepartment of Chemistry and Biochemistry and Center for Computational Sciences, Duquesne University, Pittsburgh, PA 15282, United States.
Harald SchwalbeInstitute for Organic Chemistry and Chemical Biology, Center for Biomolecular Magnetic Resonance (BMRZ), Goethe University Frankfurt, Max-von-Laue-Str. 7, 60438 Frankfurt, Germany.ORCID 0000-0001-5693-7909

Funding

RNA homodimerization strand displacement pathways to extended duplexes: Atomistic details for a mechanistic paradigm to identify unique antiviral targets for current and emerging viral pandemicsR15AI191143 · DUQUESNE UNIVERSITY · 2025 to 2025
$507k
BAGs 1102BAGs 1106BAGs SAXS990European Union's Horizon 2020German funding agency SCHW701/27-1 (495006306)German funding agency SCHW701/30-1 (537258662)iNEXT-discoveryMajor Research Instrumentation CHE-1726824National Science FoundationNIAID NIH HHS R15 AI191143state of Hesse
6 · The paper itself

Abstract

In structured RNAs, helical elements are often capped by apical loops that are integral structural elements, ranging from 3 to >20 nts of size on average, and display a highly heterogeneous energy landscape profile, rendering structural characterization particularly challenging. We here provide a characterization of the SARS-CoV-2 Delta s2m element containing a highly dynamic nonaloop using an integrative approach of nuclear magnetic resonance spectroscopy (NMR), small angle X-ray scattering (SAXS), and molecular dynamics simulations (MD). We further explored the conformational space in the s2m nonaloop and its transient closing 5'-G-U-3' base pair by MD simulations weighted by experimental NMR observables, leading to a comprehensive representation of the s2m nonaloop motif. Our deconvolution of the ensemble into conformations and dynamics provides a basis for future ensemble-functional characterization of RNA structures featuring dynamic motifs.

Indexed as

RNA, ViralSARS-CoV-2COVID-19HumansMagnetic Resonance SpectroscopyMolecular Dynamics SimulationNuclear Magnetic Resonance, BiomolecularNucleic Acid ConformationScattering, Small AngleX-Ray DiffractionRNA, Viral

Identifiers

PMID40586311
PMCPMC12207407

What Socratic holds

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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 Socratic graph.