How are water's material properties encoded within the structure of the water molecule? This
is pertinent to understanding Earth's living systems, its materials, its geochemistry and …

This review describes the theory and implementation of implicit solvation models based on
continuum electrostatics. Within quantum chemistry this formalism is sometimes …

Cellular function is generally depicted at the level of functional pathways and detailed
structural mechanisms, based on the identification of specific protein–protein interactions …

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 …

A nanomaterial with a high payload of nucleic acid drugs and low cytotoxicity is desirable for
gene therapy. Herein, a new DNA assembly method triggered by hydrophobic interaction …

Structure–activity relationships (SARs) and structure–property relationships (SPRs) have
been considered the most important factors during the drug optimization process. For …

A major challenge in the development of antibody biotherapeutics is their tendency to
aggregate. One root cause for aggregation is exposure of hydrophobic surface regions to …

We examine quantitatively the solute-size dependences of the effective interactions between
nonpolar solutes in water and in a simple liquid. The potential w (r) of mean force and the …

Gene therapy is an important therapeutic strategy in the treatment of a wide range of genetic
disorders. Polymers forming stable complexes with nucleic acids (NAs) are non-viral gene …

Treating water as a linearly responding dielectric continuum on molecular length scales
allows very simple estimates of the solvation structure and thermodynamics for charged and …