Evidence map›Paper›PMID 37126365›Full record

ArticleJournal of chemical information and modeling2023

Atomistic Picture of Opening-Closing Dynamics of DNA Holliday Junction Obtained by Molecular Simulations.

Zhengyue Zhang, Jiří Šponer, Giovanni Bussi, Vojtěch Mlýnský, Petr Šulc, Chad R Simmons, Nicholas Stephanopoulos, Miroslav Krepl

Open access · hybridAbstract read
In one paragraph

Article in Journal of chemical information and modeling, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.

0numbers the graph read from it
0cells of the map it votes in
8citing papers in PubMed
1.8field-weighted citation impact, top 15% 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

8 citing papers in PubMed, 12 citations in OpenAlex.

  1. Article
  2. Interactions of elongated dinuclear metallo-cylinders with DNA three-way and four-way junctions.Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry · 2025
    Article
  3. Article
  4. Engineering tertiary chirality in helical biopolymers.Proceedings of the National Academy of Sciences of the United States of America · 2024
    Article
  5. Article
  6. Article
  7. Article
  8. 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 3 countries.

Zhengyue ZhangInstitute of Biophysics of the Czech Academy of Sciences, Královopolská 135, 612 00 Brno, Czech Republic.ORCID 0000-0002-5322-7087
Jiří ŠponerInstitute of Biophysics of the Czech Academy of Sciences, Královopolská 135, 612 00 Brno, Czech Republic.ORCID 0000-0001-6558-6186
Giovanni BussiScuola Internazionale Superiore di Studi Avanzati (SISSA), via Bonomea 265, 34136 Trieste, Italy.ORCID 0000-0001-9216-5782
Vojtěch MlýnskýInstitute of Biophysics of the Czech Academy of Sciences, Královopolská 135, 612 00 Brno, Czech Republic.ORCID 0000-0003-2769-1553
Petr ŠulcBiodesign Center for Molecular Design and Biomimetics, Arizona State University, 1001 S. McAllister Ave, Tempe, 85287 Arizona, United States.ORCID 0000-0003-1565-6769
Chad R SimmonsBiodesign Center for Molecular Design and Biomimetics, Arizona State University, 1001 S. McAllister Ave, Tempe, 85287 Arizona, United States.ORCID 0000-0002-2290-6132
Nicholas StephanopoulosBiodesign Center for Molecular Design and Biomimetics, Arizona State University, 1001 S. McAllister Ave, Tempe, 85287 Arizona, United States.ORCID 0000-0001-7859-410X
Miroslav KreplInstitute of Biophysics of the Czech Academy of Sciences, Královopolská 135, 612 00 Brno, Czech Republic.ORCID 0000-0002-9833-4281
Arizona State University · USCzech Academy of Sciences, Institute of Biophysics · CZCentral European Institute of Technology · CZScuola Internazionale Superiore di Studi Avanzati · IT

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Holliday junction (HJ) is a noncanonical four-way DNA structure with a prominent role in DNA repair, recombination, and DNA nanotechnology. By rearranging its four arms, HJ can adopt either closed or open state. With enzymes typically recognizing only a single state, acquiring detailed knowledge of the rearrangement process is an important step toward fully understanding the biological function of HJs. Here, we carried out standard all-atom molecular dynamics (MD) simulations of the spontaneous opening-closing transitions, which revealed complex conformational transitions of HJs with an involvement of previously unconsidered "half-closed" intermediates. Detailed free-energy landscapes of the transitions were obtained by sophisticated enhanced sampling simulations. Because the force field overstabilizes the closed conformation of HJs, we developed a system-specific modification which for the first time allows the observation of spontaneous opening-closing HJ transitions in unbiased MD simulations and opens the possibilities for more accurate HJ computational studies of biological processes and nanomaterials.

Indexed as

DNADNA, CruciformDNA RepairMolecular ConformationDNADNA, Cruciform

Identifiers

PMID37126365
PMCPMC10170514
OpenAlexW4367049081

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.