In the field of noncovalent interactions a new paradigm has recently become popular. It stems from the analysis of molecular electrostatic potentials and introduces a label, which has recently attracted enormous attention. The label is σ-hole, and it was first used in connection with halogens. It initiated a renaissance of interest in halogenated compounds, and later on, when found also on other groups of atoms (chalcogens, pnicogens, tetrels and aerogens), it resulted in a new direction of research of intermolecular interactions. In this review, we summarize advances from about the last 10 years in understanding those interactions related to σ-hole. We pay particular attention to theoretical and computational techniques, which play a crucial role in the field.

Department of Physical Chemistry Regional Centre of Advanced Technologies and Materials Palacky University 771 46 Olomouc Czech Republic

Institute of Neuroscience and Medicine Forschungszentrum Jülich GmbH 52428 Jülich Federal Republic of Germany

Institute of Organic Chemistry and Biochemistry Academy of Sciences of the Czech Republic Flemingovo nám 2 16610 Prague Czech Republic

References provided by Crossref.org

Multiscale Computational Protocols for Accurate Residue Interactions at the Flexible Insulin-Receptor Interface