ArticleChemistryOpen2022
B-DNA Structure and Stability: The Role of Nucleotide Composition and Order.
Article in ChemistryOpen, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 11 papers.
What it found
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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.
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Who cites it
11 citing papers in PubMed.
- Article
- Advances in Double-Stranded DNA Targeting Technologies.Exploration (Beijing, China) · 2026Review
- DNA base pairs: the effect of the aromatic ring on the strength of the Watson-Crick hydrogen bonding.Organic & biomolecular chemistry · 2025Article
- Article
- The spectrum from van der Waals to donor-acceptor bonding.Physical chemistry chemical physics : PCCP · 2025Article
- Design and structure of overlapping regions in PCA via deep learning.Synthetic and systems biotechnology · 2025Article
- DNA as a perfect quantum computer based on the quantum physics principles.Scientific reports · 2024Article
- Multiple hydrogen-bonded dimers: are only the frontier atoms relevant?Physical chemistry chemical physics : PCCP · 2024Article
- Computational Modeling of DNA 3D Structures: From Dynamics and Mechanics to Folding.Molecules (Basel, Switzerland) · 2023Review
- A TD-DFT-Based Study on the Attack of the OH· Radical on a Guanine Nucleotide.International journal of molecular sciences · 2022Article
- B-DNA Structure and Stability: The Role of Nucleotide Composition and Order.ChemistryOpen · 2022Article
Corrections and comments
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Authors and funding
5 authors.
Funding
Abstract
We have quantum chemically analyzed the influence of nucleotide composition and sequence (that is, order) on the stability of double-stranded B-DNA triplets in aqueous solution. To this end, we have investigated the structure and bonding of all 32 possible DNA duplexes with Watson-Crick base pairing, using dispersion-corrected DFT at the BLYP-D3(BJ)/TZ2P level and COSMO for simulating aqueous solvation. We find enhanced stabilities for duplexes possessing a higher GC base pair content. Our activation strain analyses unexpectedly identify the loss of stacking interactions within individual strands as a destabilizing factor in the duplex formation, in addition to the better-known effects of partial desolvation. Furthermore, we show that the sequence-dependent differences in the interaction energy for duplexes of the same overall base pair composition result from the so-called "diagonal interactions" or "cross terms". Whether cross terms are stabilizing or destabilizing depends on the nature of the electrostatic interaction between polar functional groups in the pertinent nucleobases.
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Registered trials
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