Evidence map›Paper›PMID 18197661›Full record

ArticleThe journal of physical chemistry. B2008

Atomic detail investigation of the structure and dynamics of DNA.RNA hybrids: a molecular dynamics study.

U Deva Priyakumar, Alexander D Mackerell

Abstract read
In one paragraph

Article in The journal of physical chemistry. B, 2008. 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. Article
  4. Article
  5. Article
  6. Article
  7. Article
  8. Recent Developments and Applications of the CHARMM force fields.Wiley interdisciplinary reviews. Computational molecular science · 2012
    Article
  9. Article
  10. Article
  11. 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

2 authors.

U Deva PriyakumarDepartment of Pharmaceutical Sciences, School of Pharmacy, University of Maryland, Baltimore, Maryland 21201, USA.
Alexander D Mackerell

Funding

Oligonucleotide Conformational HeterogeneityR01GM051501 · NIGMS · UNIVERSITY OF MARYLAND BALTIMORE · PI MACKERELL, ALEXANDER D · 2003 to 2018
$3.6M
HALOGEN FREE ENERGY DATABASE FOR RATIONAL DRUG DESIGNR29GM051501 · NIGMS · UNIVERSITY OF MARYLAND BALTIMORE · PI MACKERELL, ALEXANDER D. · 1996 to 2000
$108k
NIGMS NIH HHS GM51501NIGMS NIH HHS R01 GM051501NIGMS NIH HHS R29 GM051501
6 · The paper itself

Abstract

DNA.RNA hybrid duplexes are biologically important molecules and are shown to have potential therapeutic properties. To investigate the relationship between structures, energetics, solvation and RNase H activity of hybrid duplexes in comparison with pure DNA and RNA duplexes, a molecular dynamics study using the CHARMM27 force field was undertaken. The structural properties of all four nucleic acids considered are in very good agreement with the experimental data. The backbone dihedral angles and the puckering of the (deoxy)ribose indicate that the purine rich strands retain their A-/B-like properties but the pyrimidine rich DNA strand undergoes A-B conformational transitions. The minor groove widths of the hybrid structures are narrower than those in the RNA duplex, a requirement for RNase H binding. In addition, sampling of noncanonical phosphodiester backbone dihedrals by the DNA strands, differential solvation properties and helical properties, most notably rise, are suggested to contribute to hybrids being RNase H substrates. Differential RNase H activity toward hybrids containing purine versus pyrimidine rich RNA strands is suggested to be due to sampling of values of the phosphodiester backbone dihedrals in the DNA strands. Notably, the present results indicate that hybrids have decreased flexibility as compared to RNA, in contrast to previous reports.

Indexed as

Base PairingDNANucleic Acid ConformationNucleic Acid HybridizationRibonuclease HRNADNARibonuclease HRNA

Identifiers

PMID18197661
PMCPMC2867233

What OpenQuestion 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 OpenQuestion graph.