Evidence map›Paper›PMID 40825053›Full record

ArticlePLoS computational biology2025

3D structure and stability prediction of DNA with multi-way junctions in ionic solutions.

Xunxun Wang, Ya-Zhou Shi

Abstract read
In one paragraph

Article in PLoS computational biology, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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

0 citing papers in PubMed.

No citing paper in PubMed yet.

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.

Xunxun WangGuizhou Key Laboratory of Microbio and Infectious Disease Prevention & Control, School of Biology and Engineering, Guizhou Medical University, Guiyang, China.ORCID 0009-0004-0711-6978
Ya-Zhou ShiResearch Center of Nonlinear Science, School of Mathematics & Statistics, Wuhan Textile University, Wuhan, China.ORCID 0000-0003-2579-3134

Funding

China Scholarship CouncilGuizhou Medical University High-Level Talent Scientific Research Startup FundNational Science Foundation of China
6 · The paper itself

Abstract

Understanding the three-dimensional (3D) structure and stability of DNA is essential for elucidating its biological functions and advancing structure-based drug design. Here, we present an improved coarse-grained (CG) model for ab initio prediction of DNA folding, integrating a refined electrostatic potential, replica-exchange Monte Carlo simulations, and weighted histogram analysis. The model accurately predicts the 3D structures of DNA with multi-way junctions (e.g., achieving a mean RMSD of ~8.8 Å for top-ranked structures across four DNAs with three- or four-way junctions) from sequence, outperforming existing fragment-assembly and AI-based approaches. The model also reproduces the thermal stability of junctions across diverse sequences and lengths, with predicted melting temperatures deviating by less than 5 °C from experimental values, under both monovalent (Na⁺) and divalent (Mg2⁺) ionic conditions. Furthermore, analysis of the thermal unfolding pathways reveals that the overall stability of multi-way junctions is primarily determined by the relative free energies of key intermediate states. These results provide a robust framework for predicting complex DNA architectures and offer mechanistic insights into DNA folding and function.

Indexed as

DNANucleic Acid ConformationComputational BiologyIonsModels, MolecularMonte Carlo MethodSolutionsStatic ElectricityThermodynamicsDNAIonsSolutions

Identifiers

PMID40825053
PMCPMC12373291

What OpenQuestion holds

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Registered trials

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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.