Metallo-oxide (MO)-based bioinorganic nanocomposites promise unique structures,
physicochemical properties, and novel biochemical functionalities, and within the past …

Following Nature's lessons, today chemists can cross the boundary of the small molecule
world to construct multifunctional and highly complex molecular nano-objects up to protein …

Szent-Győrgi called water the “matrix of life” and claimed that there was no life without it.
This statement is true, as far as we know, on our planet, but it is not clear whether it must …

We describe and illustrate a simple procedure for identifying a liquid interface from atomic
coordinates. In particular, a coarse-grained density field is constructed, and the interface is …

The aversion of hydrophobic solutes for water drives diverse interactions and assemblies
across materials science, biology, and beyond. Here, we review the theoretical …

The hydrophobic effect—a rationalization of the insolubility of nonpolar molecules in water—
is centrally important to biomolecular recognition. Despite extensive research devoted to the …

Hydrophobicity manifests itself differently on large and small length scales. This review
focuses on large length scale hydrophobicity, particularly on dewetting at single …

Hydrophobicity is often characterized macroscopically by the droplet contact angle.
Molecular signatures of hydrophobicity have, however, remained elusive. Successful …

We use explicit solvent molecular dynamics simulations to estimate free energy, enthalpy,
and entropy changes along the cavity− ligand association coordinate for a set of seven …

Using molecular dynamics simulation, we show direct evidence of the unexpected
phenomenon of “water that does not wet a water monolayer” at room temperature. This …