The advanced glycoxidation end products (AGEs) and lipoxidation end products (ALEs)
contribute to the development of diabetic complications and of other pathologies. The review …

The presence of fluorine atom (s) in a molecule makes the σ-hole potentials of surrounding
atoms more positive and thus increases their tendencies to interact attractively with …

Halogen bond has attracted a great deal of attention in the past years for hit-to-lead-to-
candidate optimization aiming at improving drug-target binding affinity. In general, heavy …

Modeling intermolecular interactions of complex non‐covalent structures is important in
many areas of chemistry. To facilitate the generation of reasonable dimer, oligomer, and …

In the context of drug design, CH··· O hydrogen bonds have received little attention so far,
mostly because they are considered weak relative to other noncovalent interactions such as …

The ability to design and fine‐tune non‐covalent interactions between organic ligands and
proteins is indispensable to rational drug development. Aromatic stacking has long been …

Human angiotensin‐converting enzyme (ACE) is a well‐established druggable target for the
treatment of hypertension (HTN), which contains two structurally homologous but …

Self-binding peptides (SBPs) represent those short peptide segments within monomeric
proteins to fulfill their biological functions by dynamically binding to/unbinding from their …

Drug-induced adverse reactions are a significant problem in healthcare worldwide and are
estimated to cost billions of dollars annually in the United States. A portion of such reactions …

Self-binding peptides (SBPs) represent a novel biomolecular phenomenon spanning
between folding and binding, where a short peptide segment within a monomeric protein …