The structure and function of biomolecules are strongly influenced by their hydration shells.
Structural fluctuations and molecular excitations of hydrating water molecules cover a broad …

Water is an essential participant in the stability, structure, dynamics, and function of proteins
and other biomolecules. Thermodynamically, changes in the aqueous environment affect …

Hydrogen-bond donors are seen to cause more problems for drug designers than hydrogen-
bond acceptors. Most of the polarity in drug-like compounds comes from hydrogen-bond …

When Szent-Györgyi called water the “matrix of life”, 1 he was echoing an old sentiment.
Paracelsus in the 16th century said that “water was the matrix of the world and of all its …

Protein hydration shell dynamics play an important role in biochemical processes including
protein folding, enzyme function, and molecular recognition. We present here a comparison …

The reorientation of a water molecule is important for a host of phenomena, ranging over—in
an only partial listing—the key dynamic hydrogen-bond network restructuring of water itself …

The structure of liquid water and its interaction with biological molecules is a very active area
of experimental and theoretical research. The chemically complex surfaces of protein …

One of the outstanding challenges presented by liquid water is to understand how
molecules can move on a picosecond time scale despite being incorporated in a three …

Water around biomolecules slows down with respect to pure water, and both rotation and
translation exhibit anomalous time dependence in the hydration shell. The origin of such …

Protein surface hydration is fundamental to its structural stability and flexibility, and water−
protein fluctuations are essential to biological function. Here, we report a systematic global …