Many carbohydrate-binding proteins contain aromatic amino acid residues in their binding
sites. These residues interact with carbohydrates in a stacking geometry via CH/π …

Recent gas phase measurements and high level ab initio calculations of the CH/π
interactions show that the nature of the CH/π interactions is significantly different from …

Graphene has attracted great interest because of its remarkable properties and numerous
potential applications. A comprehensive understanding of its structural and dynamic …

Four hundred twenty-eight high-resolution DNA–protein complexes were chosen for a
bioinformatics study. Although 164 crystal structures (38% of those searched) contained no …

Non‐covalent interactions with aromatic rings pervade modern chemical research. The
strength and orientation of these interactions can be tuned and controlled through …

Understanding the interaction between carbon nanotubes (CNTs) and biomolecules is
essential to the CNT-based nanotechnology and biotechnology. Some recent experiments …

The molecular recognition of carbohydrates by proteins plays a key role in many biological
processes including immune response, pathogen entry into a cell, and cell–cell adhesion …

Recent successes and failures of the application of 'enhanced'semiempirical QM (SQM)
methods are reviewed in the light of the benefits and backdraws of adding dispersion (D) …

Computational modeling of systems governed by non-bonded interactions, especially van
der Waals (dispersion) interactions, is currently a difficult task, since many conventional …

Carbohydrate–receptor interactions are an integral part of biological events. They play an
important role in many cellular processes, such as cell-cell adhesion, cell differentiation and …