Evidence map›Paper›PMID 26827073›Full record

ArticleBiophysical journal2016

On the Use of Molecular Dynamics Simulations for Probing Allostery through DNA.

Tomáš Dršata, Marie Zgarbová, Petr Jurečka, Jiří Šponer, Filip Lankaš

Abstract read
In one paragraph

Article in Biophysical journal, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.

0numbers the graph read from it
0cells of the map it votes in
11citing 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

11 citing papers in PubMed.

  1. Article
  2. Article
  3. Review
  4. Article
  5. Article
  6. Elasticity as the Basis of Allostery in DNA.The journal of physical chemistry. B · 2019
    Article
  7. Article
  8. Allosteric interactions in a birod model of DNA.Proceedings. Mathematical, physical, and engineering sciences · 2018
    Article
  9. Article
  10. Allosterism and signal transfer in DNA.Nucleic acids research · 2018
    Article
  11. Sequential eviction of crowded nucleoprotein complexes by the exonuclease RecBCD molecular motor.Proceedings of the National Academy of Sciences of the United States of America · 2017
    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

5 authors.

Tomáš DršataInstitute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Prague, Czech Republic; Institute of Biophysics, Academy of Sciences of the Czech Republic, Brno, Czech Republic.
Marie ZgarbováRegional Centre of Advanced Technologies and Materials, Department of Physical Chemistry, Faculty of Science, Palacký University, Olomouc, Czech Republic.
Petr JurečkaRegional Centre of Advanced Technologies and Materials, Department of Physical Chemistry, Faculty of Science, Palacký University, Olomouc, Czech Republic.
Jiří ŠponerInstitute of Biophysics, Academy of Sciences of the Czech Republic, Brno, Czech Republic; Central European Institute of Technology, Campus Bohunice, Brno, Czech Republic.
Filip LankašInstitute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Prague, Czech Republic; Laboratory of Informatics and Chemistry, University of Chemistry and Technology Prague, Prague, Czech Republic. Electronic address: lankasf@vscht.cz.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

A recent study described an allosteric effect in which the binding of a protein to DNA is influenced by another protein bound nearby. The effect shows a periodicity of ∼10 basepairs and decays with increasing protein-protein distance. As a mechanistic explanation, the authors reported a similar periodic, decaying pattern of the correlation coefficient between major groove widths inferred from a shorter molecular dynamics simulation. Here we show that in a state-of-the-art, microsecond-long simulation of the same DNA sequence, the periodicity of the correlation coefficient is not observed. To study the problem further, we extend an earlier mechanical model of DNA allostery based on constrained minimization of effective quadratic deformation energy of the DNA. We demonstrate that, if the constraints mimicking the bound proteins are properly applied, the periodicity in the binding energy is indeed recovered.

Indexed as

Molecular Dynamics SimulationNucleic Acid ConformationAllosteric RegulationDNADNA

Identifiers

PMID26827073
PMCPMC4776040

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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.