The amino groups of thio‐and selenoamides can act as stronger hydrogen‐bond donors
than of carboxamides, despite the lower electronegativity of S and Se. This phenomenon …

The symmetry‐decomposed Voronoi deformation density (VDD) charge analysis is an
insightful and robust computational tool to aid the understanding of chemical bonding …

G-Quadruplex (GQ) is a secondary structural unit of DNA, formed at the telomere region of
the chromosome with a high guanine content. It is reported that the GQs can hinder many …

Our quantum chemical analyses elucidated how the replacement of O in the amide bonds of
benzene‐1, 3‐5‐tricarboxamides (OBTAs) with the larger chalcogens S and Se enhances …

We have quantum chemically analyzed the influence of nucleotide composition and
sequence (that is, order) on the stability of double‐stranded B‐DNA triplets in aqueous …

The computational study of DNA and its interaction with ligands is a highly relevant area of
research, with significant consequences for developing new therapeutic strategies …

Hydrogen‐bonded supramolecular systems are known to obtain extra stabilization from the
complexation with ions, like guanine quadruplex (GQ). They experience strong hydrogen …

Telomeric DNA is guanine-rich and can adopt structures such as G-quadruplexes (GQs) and
G-hairpins. Telomeric GQs influence genome stability and telomerase activity, making …

The aim of this review is to compile important results of single-crystal X-ray diffraction
method, vibrational and NMR studies conducted on alkali metal ion complexes of some …

Human telomeric DNA, in G‐quadruplex (G4) conformation, is characterized by a
remarkable structural stability that confers it the capacity to resist to oxidative stress …