1.1 Background In his historic review titled “Polymerization” in Chemical Reviews of 1931,
Wallace H. Carothers described his brilliant ideas about the rapidly developing field of …

Conspectus The observation of complex structural transitions in biological and abiological
molecular objects within time scales amenable to molecular dynamics (MD) simulations is …

Oil and water do not mix. The disaffinity of oil for water, with its unusual temperature
dependence, is called the hydrophobic effect. It is important to understand the factors …

A molecular model of poorly understood hydrophobic effects is heuristically developed using
the methods of information theory. Because primitive hydrophobic effects can be tied to the …

Hydrophobic interactions are driven by the combined influence of the direct attraction
between oily solutes and an additional water-mediated interaction whose magnitude (and …

This study reports the first complete description of the solution thermodynamics of a series of
linear, branched, and cyclic alkanes in water by computer simulations, including the …

A theoretical approach is developed to quantify hydrophobic hydration and interactions on a
molecular scale, with the goal of insight into the molecular origins of hydrophobic effects …

Hydrophobic association is often recognized as being driven by favorable entropic
contributions. Here, using explicit solvent molecular dynamics simulations we investigate …

▪ Abstract This paper reviews the molecular theory of hydrophobic effects relevant to
biomolecular structure and assembly in aqueous solution. Recent progress has resulted in …

Hydrophobicity is a phenomenon of great importance in biology, chemistry, and
biochemistry. It is defined as the interaction between nonpolar molecules or groups in water …