Modelling the melting of DNA oligomers with non-inert dangling ends

In this work, we investigate the dependence of the melting temperature of low-valency DNA constructs on the length of non-inert dangling ends, controlling their sequence composition. We compare two computational models to evaluate their effectiveness and limitations in predicting the melting behavior of DNA oligomers (bivalent linkers) and more complex structures (trivalent nanostars), benchmarking the results against experimental spectroscopic data. Our results suggest that the length of non-inert dangling ends has minimal impact on the melting point of the DNA duplex for the duplexes we studied, informing the future design of DNA supramolecular constructs.

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Journal
Frontiers in Molecular Biosciences
Published
2025-08-13
DOI
https://doi.org/10.3389/fmolb.2025.1646428
Primary Topic
Advanced biosensing and bioanalysis techniques
Type
article
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article

Modelling the melting of DNA oligomers with non-inert dangling ends

Alejandro Soto, Francesco Mambretti, Iliya D. Stoev, Emanuele Locatelli
Frontiers in Molecular Biosciences
Advanced biosensing and bioanalysis techniques
article

Modelling the melting of DNA oligomers with non-inert dangling ends

Alejandro Soto, Francesco Mambretti, Iliya D. Stoev, Emanuele Locatelli
article en

Abstract

In this work, we investigate the dependence of the melting temperature of low-valency DNA constructs on the length of non-inert dangling ends, controlling their sequence composition. We compare two computational models to evaluate their effectiveness and limitations in predicting the melting behavior of DNA oligomers (bivalent linkers) and more complex structures (trivalent nanostars), benchmarking the results against experimental spectroscopic data. Our results suggest that the length of non-inert dangling ends has minimal impact on the melting point of the DNA duplex for the duplexes we studied, informing the future design of DNA supramolecular constructs.

Frontiers in Molecular BiosciencesVol. 12
Karlsruhe Institute of Technology (DE), University of Padua (IT), Italian Institute of Technology (IT), Istituto Nazionale di Fisica Nucleare, Sezione di Padova (IT)
Openalex Percentile: Top 82%
Advanced biosensing and bioanalysis techniques
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Modelling the melting of DNA oligomers with non-inert dangling ends — Alejandro Soto, Francesco Mambretti, et al. · Frontiers in Molecular Biosciences (2025) | TGRS Research Map | TGRS