Quantum biology: An update and perspective

Y Kim, F Bertagna, EM D'souza, DJ Heyes… - Quantum …, 2021 - mdpi.com
Understanding the rules of life is one of the most important scientific endeavours and has
revolutionised both biology and biotechnology. Remarkable advances in observation …

Quantum and classical effects in DNA point mutations: Watson–Crick tautomerism in AT and GC base pairs

L Slocombe, JS Al-Khalili, M Sacchi - Physical Chemistry Chemical …, 2021 - pubs.rsc.org
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 …

Modelling proton tunnelling in the adenine–thymine base pair

AD Godbeer, JS Al-Khalili… - Physical Chemistry …, 2015 - pubs.rsc.org
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) …

SARS-CoV-2 Spike Protein Unlikely to Bind to Integrins via the Arg-Gly-Asp (RGD) Motif of the Receptor Binding Domain: Evidence From Structural Analysis and …

H Othman, HB Messaoud, O Khamessi… - Frontiers in Molecular …, 2022 - frontiersin.org
The Receptor Binding Domain (RBD) of SARS-CoV-2 virus harbors a sequence of Arg-Gly-
Asp tripeptide named RGD motif, which has also been identified in extracellular matrix …

Influence of donor point modifications on the assembly of chalcogen-bonded organic frameworks

BJ Eckstein, HR Martin, MP Moghadasnia… - Chemical …, 2024 - pubs.rsc.org
Incremental, single-atom substitutions of Se-based chalcogen bond (Ch-bond) donors with
stronger donating Te centers were implemented in two new triptycene tris (1, 2, 5 …

Proton transfer in guanine–cytosine base pair analogues studied by NMR spectroscopy and PIMD simulations

R Pohl, O Socha, P Slavíček, M Šála… - Faraday …, 2018 - pubs.rsc.org
It has been hypothesised that proton tunnelling between paired nucleobases significantly
enhances the formation of rare tautomeric forms and hence leads to errors in DNA …

Sequential flipping: the donor–acceptor exchange mechanism in water trimers

X Yang, R Liu, R Xu, Z Wang - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
The donor–acceptor exchange (DAE) is a significant hydrogen bond network rearrangement
(HBNR) mechanism because it can lead to the change of the hydrogen bond direction. In …

Cisplatin cytotoxicity: a theoretical study of induced mutations

JP Cerón-Carrasco, D Jacquemin… - Physical Chemistry …, 2012 - pubs.rsc.org
We investigate possible mutations in the genetic code induced by cisplatin with an approach
combining molecular dynamics (MD) and hybrid quantum mechanics/molecular mechanics …

Theoretical study of intramolecular hydrogen bonding in the halo derivatives of 1-amino-3-imino-prop-1-ene

S Emamian, SF Tayyari - Journal of Chemical Sciences, 2013 - Springer
Intramolecular hydrogen bonding (IHB) of 1-amino-3-imino-prop-1-ene (AIP), as the simplest
resonance-assisted hydrogen bond system in symmetric N–H··· N class, and its halo …

Theoretical thermodynamic study of the adenine–thymine tautomeric equilibrium: electronic structure calculations and steered molecular dynamic simulations

S Tolosa, JA Sansón, A Hidalgo - International Journal of …, 2017 - Wiley Online Library
Free energy of the tautomeric equilibrium A‐T⇆ A*‐T* between the canonical and
noncanonical DNA base equilibrium in aqueous solution was theoretically determined by …