Theoretical study of the cosolvent effect on the partial molar volume change of staphylococcal nuclease associated with pressure denaturation

Article Abstract:

The molecular mechanism of the effect of ureas and glycerol cosolvents on the partial molar volume (PMV) change associated with the pressure denaturation of staphylococcal nuclease (SNase) protein is described. The PMV of the native SNase in water predicted by 3D-RISM theory is in good accordance with experiment and it is found that the PMV changes associated with pressure denaturation in water and in water-urea and water-glycerol mixtures are qualitatively reproduced.

Analysis, Molecular dynamics, Thermodynamics, Nucleases

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Three-dimensional distribution function theory for the prediction of protein-ligand binding sites and affinities: application to the binding of noble gases to hen egg-white lysozyme in aqueous solution

Article Abstract:

The three-dimensional distribution function theory of molecular liquids is used to study the binding of noble gases to the hen egg-white lysozyme in the aqueous solution. The analysis can also be easily used for predicting the protein-ligand binding sites and affinities.

Observations, Ligand binding (Biochemistry), X-ray crystallography, Optical properties, Structure

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Partial molar volume of proteins studied by the three-dimensional reference interaction site model theory

Article Abstract:

The three-dimensional reference site model (3D-RISM) theory is applied to the analysis of hydration effects on the partial molar volume of proteins. The volume differences between low-and high-pressure structures of lysozyme are analyzed by the method.

Proteins, Chemical properties, Hydration (Chemistry)

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