What question did this study set out to answer?

To determine whether sequence-dependent folding free energies of individual loops govern the overall conformational topology and structural polymorphism of DNA G-quadruplexes.

August 20, 2026PLoS Computational BiologyOpen Access

Can intrinsic loop energetics predict G-Quadruplex topology?

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Authors

MJMichał JurkowskiGdańsk University of Technology MKMateusz KogutGdańsk University of Technology MŁMikołaj Ławicki

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Implication

Computational study reveals that intrinsic loop energetics dictate overall folding topology in three-tetrad DNA G-quadruplexes, highlighting mechanisms driving structural diversity.

Key Points

To determine whether sequence-dependent folding free energies of individual loops govern the overall conformational topology and structural polymorphism of DNA G-quadruplexes.
Performed molecular dynamics simulations to evaluate the folding free energies across all five standard G-quadruplex loop geometries.
Analyzed loop conformational preferences across four different loop lengths in both two-tetrad and three-tetrad G-quadruplex systems.
Loop-geometry preferences shift from low-span to large-span geometries as loop length increases, mediated by a balance between phosphate electrostatic repulsion and loop overstretching.
Internal loop stabilities primarily determine the global fold in three-tetrad G-quadruplexes and account for the diversity of three-nucleotide loops, while inter-loop interactions drive stability in two-tetrad structures.

Cite This Study

Jurkowski et al. (2026) studied this question.

synapsesocial.com/papers/6a86b5ff8a91293e6a1cda1c https://doi.org/10.1371/journal.pcbi.1014542

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Implication

Computational study reveals that intrinsic loop energetics dictate overall folding topology in three-tetrad DNA G-quadruplexes, highlighting mechanisms driving structural diversity.

Can intrinsic loop energetics predict G-Quadruplex topology?

Discussion

Member takes

Implication

Key Points

Cite This Study

Can intrinsic loop energetics predict G-Quadruplex topology?

Discussion

Member takes

Implication

Key Points

Cite This Study

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