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Quantum biology: An update and perspective
Understanding the rules of life is one of the most important scientific endeavours and has
revolutionised both biology and biotechnology. Remarkable advances in observation …
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
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 …
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) …
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 …
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 …
Asp tripeptide named RGD motif, which has also been identified in extracellular matrix …
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 …
enhances the formation of rare tautomeric forms and hence leads to errors in DNA …
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 …
stronger donating Te centers were implemented in two new triptycene tris (1, 2, 5 …
Supramolecular co-assembly of water-soluble nucleobase-containing copolymers: bioinspired synthetic platforms towards new biomimetic materials
This study presents the development of co-assembled copolymer architectures at
physiological pH (pH 7.4) formed via H-bonds between complementary nucleobase …
physiological pH (pH 7.4) formed via H-bonds between complementary nucleobase …
Cisplatin cytotoxicity: a theoretical study of induced mutations
We investigate possible mutations in the genetic code induced by cisplatin with an approach
combining molecular dynamics (MD) and hybrid quantum mechanics/molecular mechanics …
combining molecular dynamics (MD) and hybrid quantum mechanics/molecular mechanics …
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 …
noncanonical DNA base equilibrium in aqueous solution was theoretically determined by …
IPPP–CLOPPA Analysis of the Hydrogen Bonds of the Adenine–Thymine Base Pair. Is C–H··· O the Third Hydrogen Bond?
CG Giribet - The Journal of Physical Chemistry A, 2024 - ACS Publications
The IPPP–CLOPPA method is applied to investigate the feasibility of the C–H··· O moiety as
a third hydrogen bond in the adenine–thymine base pair, and the role of this intermolecular …
a third hydrogen bond in the adenine–thymine base pair, and the role of this intermolecular …