Transition metal catalysis is of utmost importance for the development of sustainable
processes in academia and industry. The activity and selectivity of metal complexes are …

Designing a reliable computational methodology to calculate protein: ligand standard
binding free energies is extremely challenging. The large change in configurational enthalpy …

Molecular recognition, which is the process of biological macromolecules interacting with
each other or various small molecules with a high specificity and affinity to form a specific …

This tutorial review summarizes the continuing exploration of three prominent water-soluble
hosts: cucurbiturils, pillar [n] arenes and deep-cavity cavitands. As we describe, these hosts …

Hydrogen (H)-bonds potentiate diverse cellular functions by facilitating molecular
interactions. The mechanism and the extent to which H-bonds regulate molecular …

On the basis of many literature measurements, a critical overview is given on essential
noncovalent interactions in synthetic supramolecular complexes, accompanied by analyses …

Over the past 25 years, biophysical technologies such as X-ray crystallography, nuclear
magnetic resonance spectroscopy, surface plasmon resonance spectroscopy and …

Driving forces for association between oppositely charged biological or synthetic polymers
in aqueous solution have long been identified as electrostatic in origin. This attraction is …

Abstract Structure‐based ligand design in medicinal chemistry and crop protection relies on
the identification and quantification of weak noncovalent interactions and understanding the …

Designing single-species selective membranes for high-precision separations requires a
fundamental understanding of the molecular interactions governing solute transport. Here …