Evidence map›Paper›PMID 30047316›Full record

ArticleJournal of biomolecular structure & dynamics2019

Exploring potentially alternative non-canonical DNA duplex structures through simulation.

Rodrigo Galindo-Murillo, Thomas E Cheatham, Robert C Hopkins

Open access · greenAbstract read
In one paragraph

Article in Journal of biomolecular structure & dynamics, 2019. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.

0numbers the graph read from it
0cells of the map it votes in
3citing papers in PubMed
0.1field-weighted citation impact, top 52% 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

3 citing papers in PubMed, 5 citations in OpenAlex.

  1. Article
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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

3 authors at 1 institution in 1 country.

Rodrigo Galindo-Murilloa Department of Medicinal Chemistry , L. S. Skaggs Pharmacy Institute, University of Utah , Salt Lake City , UT , USA.ORCID http://orcid.org/0000-0001-5847-4143
Thomas E Cheathama Department of Medicinal Chemistry , L. S. Skaggs Pharmacy Institute, University of Utah , Salt Lake City , UT , USA.ORCID http://orcid.org/0000-0003-0298-3904
Robert C Hopkinsa Department of Medicinal Chemistry , L. S. Skaggs Pharmacy Institute, University of Utah , Salt Lake City , UT , USA.
University of Utah · US

Funding

Biomolecular simulation for the end-stage refinement of nucleic acid structureR01GM081411 · NIGMS · UNIVERSITY OF UTAH · PI CHEATHAM, THOMAS E. · 2008 to 2022
$2.7M
NIGMS NIH HHS R01 GM081411
6 · The paper itself

Abstract

Hopkins proposed an alternative and chirally distinct family of double-stranded DNA (dsDNA) models that have antiparallel chains with 5'→3' senses opposite to those of the right-handed Watson-Crick (WC) family. Termed configuration II, this family of dsDNA models contains both right-handed (II-R) and left-handed (II-L) forms, with Z-DNA as an example of the latter. Relative interstrand binding energies for six DNA duplex models, two each of configuration I-R (standard WC canonical B-DNA), II-R, and II-L for the duplex d(CGCGAATTCGCG), have been estimated under identical conditions using MM-PBSA analysis from molecular dynamics trajectories using three different AMBER force fields. These simulations support the stereo chemical soundness of configuration II dsDNA forms. Recent force fields (Barcelona Supercomputing Center [BSC] [bsc1] and Olomouc 2015 [OL15]) successfully render stable II-L structures, whereas the previous force field, bsc0, generated stable II-R structures, although with an energy difference between II-R and II-L of ∼30 kcal/mol. Communicated by Ramaswamy H. Sarma.

Indexed as

Molecular Dynamics SimulationNucleic Acid ConformationThermodynamicsDNAHydrogen BondingDNAAMBERconfiguration II DNAdouble-stranded DNAinterstrand binding energyleft-handed DNAMM-PBSAmolecular dynamics

Identifiers

PMID30047316
PMCPMC7508566
OpenAlexW2883175882

What OpenQuestion holds

Textmetadata
LicenceTDM
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.