By averaging over atomic details, coarse-grained (CG) models provide profound
computational and conceptual advantages for studying soft materials. In particular, bottom …

Ionic liquids are remarkable chemical compounds, which find applications in many areas of
modern science. Because of their highly tunable nature and exceptional properties, ionic …

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

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 …

Water is essential for life in many ways, and without it biomolecules might no longer truly be
biomolecules. In particular, water is important to the structure, stability, dynamics, and …

Glycosylation is one of the most common posttranslational modifications to occur in protein
biosynthesis, yet its effect on the thermodynamics and kinetics of proteins is poorly …

Liquid water is a highly versatile material. Although it is formed from the tiniest of molecules,
it can shape and control biomolecules. The hydrogen-bonding properties of water are …

Biomolecules are the prime information processing elements of living matter. Most of these
inanimate systems are polymers that compute their own structures and dynamics using as …

The associative memory, water mediated, structure and energy model (AWSEM) is a coarse-
grained protein force field. AWSEM contains physically motivated terms, such as hydrogen …

We propose a method of quantifying the degree of frustration manifested by spatially local
interactions in protein biomolecules. This method of localization smoothly generalizes the …