Ionic liquids (ILs) are used in a variety of technological and biological applications. Recent
experimental and simulation results reveal the influence of aqueous ionic liquids on the …

Hydrophobic drugs can often be solubilized by the addition of hydrotropes. We have
previously shown that preferential drug–hydrotrope association is one of the major factors of …

In this work, we identify the explicit macroscopic-to-microscopic rigorous links between
existing thermodynamic preferential interaction parameters Γ Q α Q β (χ i) and …

A new classical nonpolarizable force field, KBFF20, for the simulation of peptides and
proteins is presented. The force field relies heavily on the use of Kirkwood–Buff theory to …

How cosolvents affects solvation has been revealed through the independent determination
of solute-solvent and solute-cosolvent interactions guaranteed by the phase rule. Based on …

In a continuation of our efforts to develop a united atom non-polarizable protein force field
based upon the solution theory of Kirkwood and Buff ie, the Kirkwood–Buff Force Field …

At certain mixing ratios, urea and lithium bis (trifluorosulfonyl) imide (LiTFSI) form deep
eutectic solvents with a pronounced lowering of the melting temperature when compared to …

Designed to enhance the solubility of hardly soluble species in water, many excipient
formulations for active drugs or other solutes contain two or more cosolutes. And yet, little is …

Given the ubiquitous nature of protein–DNA interactions, it is important to understand the
interaction thermodynamics of individual amino acid side chains for DNA. One way to …

Interactions in complex solutions that consist of multiple components can be quantified via
number correlations observed within an isochoric subsystem. The fluctuation solution theory …