Supramolecular chemistry is “the chemistry of the intermolecular bond, covering the
structures and functions of the entities formed by association of two or more chemical …

The Stability of Cyclodextrin Complexes in Solution | Chemical Reviews Recently Viewedclose
modal ACS ACS Publications C&EN CAS Find my institution Log In ACS Publications. Most …

A σ-hole bond is a noncovalent interaction between a covalently-bonded atom of Groups IV–
VII and a negative site, eg a lone pair of a Lewis base or an anion. It involves a region of …

A novel and robust automated docking method that predicts the bound conformations of
flexible ligands to macromolecular targets has been developed and tested, in combination …

This paper describes the development of a simple empirical scoringfunction designed to
estimate the free energy of binding for aprotein–ligand complex when the 3D structure of the …

The importance of anion receptors is a reflection of the ubiquitousness of anions, their
functions in biological and industrial processes, as well as their behaviour as pollutants. In …

Improved thermodynamic parameters for prediction of RNA duplex formation are derived
from optical melting studies of 90 oligoribonucleotide duplexes containing only Watson …

A new simple empirical function has been developed that estimates the free energy of
binding for a given protein-ligand complex of known 3D structure. The function takes into …

A fast, simplified potential-based approach is presented that estimates the protein− ligand
binding affinity based on the given 3D structure of a protein− ligand complex. This general …

The influence of a xenobiotic compound on an organism is usually summarized by the
expression biological activity. If a controlled, therapeutically relevant, and regulatory action …