Theoretical study of pressure and cosolvent effects on the solvation structure of staphylococcal nuclease

Abstract

Integral equation theory for molecular liquids, three-dimensional reference interaction site model (3D-RISM), is used to study pressure and cosolvent effects on the solvation structure of staphylococcal nuclease (SNase). Solvation structure, partial molar volume, and partial molar volume-compressibility, which relates to the response of solvation structure with respect to the pressure, around SNase are discussed.