The hydrophobic effect—the tendency for oil and water to segregate—is important in diverse
phenomena, from the cleaning of laundry, to the creation of micro-emulsions to make new …

This Review aims to critically analyse the emerging field of chemical reactivity at aqueous
interfaces. The subject has evolved rapidly since the discovery of the so-called 'on-water …

The dielectric constant ε of interfacial water has been predicted to be smaller than that of
bulk water (ε≈ 80) because the rotational freedom of water dipoles is expected to decrease …

A novel scoring function to estimate protein− ligand binding affinities has been developed
and implemented as the Glide 4.0 XP scoring function and docking protocol. In addition to …

The interfaces of neat water and aqueous solutions play a prominent role in many
technological processes and in the environment. Examples of aqueous interfaces are …

Molecular self association in liquids is a physical process that can dominate cohesion
(interfacial tension) and miscibility. In water, self association is a powerful organizational …

We develop a unified and generally applicable theory of solvation of small and large apolar
species in water. In the former, hydrogen bonding of water is hindered yet persists near the …

Understanding and controlling the flow of water confined in nanopores has tremendous
implications in theoretical studies and industrial applications. Here, we propose a simple …

Water is the solvent used by nature for biological chemistry. Considering the enormous
variety of biological organic synthetic pathways and the complicated molecular structures …

The term hydrophobic interactions denotes the tendency of relatively apolar molecules to
stick together in aqueous solution. These interactions are of importance in many chemical …