Understanding the noncovalent interactions (NCIs) among the residues of proteins and
nucleic acids, and between drugs and proteins/nucleic acids, etc., has extraordinary …

Antimicrobial resistance presents us with a potential global crisis as it undermines the
abilities of conventional antibiotics to combat pathogenic microbes. The history of …

The recent re‐parametrization of the Martini coarse‐grained force field, Martini 3, improved
the accuracy of the model in predicting molecular packing and interactions in molecular …

Microplastics (MPs) are ubiquitous in drinking water and pose potential threats to human
health. Despite increasingly attentions on the toxicity of MPs, the deleterious effects of MPs …

This Article revisits the “Definition of the Halogen Bond (IUPAC Recommendations
2013)”[Desiraju, GR Pure Appl. Chem. 2013, 85 (8), 1711–1713], recommendations that fail …

Halogen-mediated interactions play an important role in molecular recognition and
crystallization in many chemical and biological systems, whereas their effect on homochiral …

A single-crystal X-ray diffraction (XRD) study of diaryliodonium tetrachloroaurates (or, in the
recent terminology, tetrachloridoaurates),[(p-XC6H4) 2I][AuCl4](X= Cl, 1; Br, 2), was …

Accompanying the rapidly growing list of σ-hole bonds has come the acknowledgment of
parallel sorts of noncovalent bonds which owe their stability in large part to a deficiency of …

Motivated by their potential biological applications, anion receptors are increasingly
explored as transmembrane transporters for anions. The vast majority of the reported anion …

Because of their strong electron-rich properties, nucleic acids (NAs) can theoretically serve
as halogen bond (XB) acceptors. From a PDB database survey, Kolář found that no XBs …