Assessing the importance of proton transfer reactions in DNA
Conspectus Although engineered by millions of years of evolution, the cellular machinery is
not flawless, and errors regularly appear during DNA replication. The subsequent alteration …
not flawless, and errors regularly appear during DNA replication. The subsequent alteration …
The role of proton transfer on mutations
R Srivastava - Frontiers in Chemistry, 2019 - frontiersin.org
Hydrogen bonds play a critical role in nucleobase studies as they encode genes, map
protein structures, provide stability to the base pairs, and are involved in spontaneous and …
protein structures, provide stability to the base pairs, and are involved in spontaneous and …
Quantum and classical effects in DNA point mutations: Watson–Crick tautomerism in AT and GC base pairs
Proton transfer along the hydrogen bonds of DNA can lead to the creation of short-lived, but
biologically relevant point mutations that can further lead to gene mutation and, potentially …
biologically relevant point mutations that can further lead to gene mutation and, potentially …
Can tautomerization of the A·T Watson–Crick base pair via double proton transfer provoke point mutations during DNA replication? A comprehensive QM and QTAIM …
Trying to answer the question posed in the title, we have carried out a detailed theoretical
investigation of the biologically important mechanism of the tautomerization of the A· T …
investigation of the biologically important mechanism of the tautomerization of the A· T …
Effects of external electric fields on double proton transfer kinetics in the formic acid dimer
Molecules can be exposed to strong local electric fields of the order of 108–1010 V m− 1 in
the biological milieu. The effects of such fields on the rate constant (k) of a model reaction …
the biological milieu. The effects of such fields on the rate constant (k) of a model reaction …
The role of reaction force and chemical potential in characterizing the mechanism of double proton transfer in the adenine− uracil complex
A theoretical study of the intermolecular double proton transfer in the adenine− uracil base
pair has been performed to model the double proton transfer in the adenine− thymine dimer …
pair has been performed to model the double proton transfer in the adenine− thymine dimer …
Hydrogen bonding in natural and unnatural base pairs—a local vibrational mode study
N Beiranvand, M Freindorf, E Kraka - Molecules, 2021 - mdpi.com
In this work hydrogen bonding in a diverse set of 36 unnatural and the three natural Watson
Crick base pairs adenine (A)–thymine (T), adenine (A)–uracil (U) and guanine (G)–cytosine …
Crick base pairs adenine (A)–thymine (T), adenine (A)–uracil (U) and guanine (G)–cytosine …
Why the tautomerization of the G·C Watson–Crick base pair via the DPT does not cause point mutations during DNA replication? QM and QTAIM comprehensive …
The ground-state tautomerization of the G· C Watson–Crick base pair by the double proton
transfer (DPT) was comprehensively studied in vacuo and in the continuum with a low …
transfer (DPT) was comprehensively studied in vacuo and in the continuum with a low …
Strong enhancement of π‐electron donor/acceptor ability by complementary DD/AA hydrogen bonding
Abstract π‐Conjugated organic materials possess a wide range of tunable optoelectronic
properties which are dictated by their molecular structure and supramolecular arrangement …
properties which are dictated by their molecular structure and supramolecular arrangement …
Modelling proton tunnelling in the adenine–thymine base pair
The energies of the canonical (standard, amino-keto) and tautomeric (non-standard, imino-
enol) charge-neutral forms of the adenine–thymine base pair (A–T and A*–T*, respectively) …
enol) charge-neutral forms of the adenine–thymine base pair (A–T and A*–T*, respectively) …