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 …

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 …

The influence of embedding and coupling schemes on the convergence of the QM size in
the QM/MM approach is investigated for the transfer of a proton in a DNA base pair. We find …

This is a comprehensive review that focuses on spontaneous mutations that may occur
during DNA replication, the fundamental process responsible for transferring genetic …

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 …

Human DNA methyltransferase 1 (DNMT1) maintains the epigenetic state of DNA by
replicating CpG methylation signatures from parent to daughter strands, producing heritable …

The relationship between base pair hydrogen bond proton transfer and the rate of
spontaneous single point mutations at ambient temperatures and pressures in aqueous …

It is widely known that canonical DNA base pairs preserve the Watson–Crick (WC) scheme
of pairing that enables accurate transfer of genetic information across generations. Herein …

Herein, we first address the question posed in the title by establishing the tautomerization
trajectory via the double proton transfer of the adenine· guanine (A· G) DNA base mispair …

We have shown for the first time, connecting QM methods with QTAIM analysis and using the
methodology of the sweeps of the energetical, electron-topological and geometrical …