Hydrogen bonds are a complex interplay between different energy components, and their
nature is still subject of an ongoing debate. In this minireview, we therefore provide an …

Nucleic acids have been among the first targets for antitumor drugs and antibiotics. With the
unveiling of new biological roles in regulation of gene expression, specific DNA and RNA …

Guanine and related nucleobases such as guanosine, deoxyguanosine and isoguanosine
are notable molecular tools for designing functional supramolecular assemblies. This …

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

Cooperative effects cause extra stabilization of hydrogen-bonded supramolecular systems.
In this work we have designed hydrogen-bonded rosettes derived from a guanine–cytosine …

G-quadruplex, assembled from a square array of guanine (G) molecules, is an important
structure with crucial biological roles in vivo but also a versatile template for ordered …

This work extends the electron deformation density-based descriptor, originally developed in
the electron deformation density-based interaction energy machine learning (EDDIE-ML) …

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

In supramolecular chemistry, the rational design of self‐assembled systems remains a
challenge. Herein, hydrogen‐bonded rosettes of melamine and ammeline have been …

A recent paper (Phys. Chem. Chem. Phys. 2020, 22: 22,459) shows that the energy
components of the extended transition state energy decomposition analysis (ETS-EDA) are …