ArticleThe journal of physical chemistry letters2023
Quantum Tunnelling Effects in the Guanine-Thymine Wobble Misincorporation via Tautomerism.
Article in The journal of physical chemistry letters, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
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Who cites it
7 citing papers in PubMed, 17 citations in OpenAlex.
- The Rigid Double Harmonic Oscillator Model of DNA Base Pairs and the Wignerian Approach for the Transition Rate of Single-Proton Transfer within the Fermi Golden Rule.The journal of physical chemistry. B · 2026Article
- Unexpected Suppression of Double-Proton Tunneling Induced by Quantum Barriers from Zero-Point Energy.The Journal of organic chemistry · 2025Article
- Electronic and Nuclear Quantum Effects on Proton Transfer Reactions of Guanine-Thymine (G-T) Mispairs Using Combined Quantum Mechanical/Molecular Mechanical and Machine Learning Potentials.Molecules (Basel, Switzerland) · 2024Article
- Existence of Quantum Pharmacology in Sartans: Evidence in Isolated Rabbit Iliac Arteries.International journal of molecular sciences · 2023Article
- Multiscale simulations reveal the role of PcrA helicase in protecting against spontaneous point mutations in DNA.Scientific reports · 2023Article
- Investigating the Spectroscopy of the Gas Phase Guanine-Cytosine Pair: Keto versus Enol Configurations.The journal of physical chemistry letters · 2023Article
- How proton transfer impacts hachimoji DNA.RSC advances · 2023Article
Corrections and comments
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Authors and funding
4 authors at 1 institution in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The misincorporation of a noncomplementary DNA base in the polymerase active site is a critical source of replication errors that can lead to genetic mutations. In this work, we model the mechanism of wobble mispairing and the subsequent rate of misincorporation errors by coupling first-principles quantum chemistry calculations to an open quantum systems master equation. This methodology allows us to accurately calculate the proton transfer between bases, allowing the misincorporation and formation of mutagenic tautomeric forms of DNA bases. Our calculated rates of genetic error formation are in excellent agreement with experimental observations in DNA. Furthermore, our quantum mechanics/molecular mechanics model predicts the existence of a short-lived "tunnelling-ready" configuration along the wobble reaction pathway in the polymerase active site, dramatically increasing the rate of proton transfer by a hundredfold, demonstrating that quantum tunnelling plays a critical role in determining the transcription error frequency of the polymerase.
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