A set of physicochemical properties describing a protein of known structure is employed for a calibrative approach to protein solubility. Common hydrodynamic and electrophoretic properties routinely measured in the bio-analytical laboratory such as zeta potential, dipole moment, the second osmotic virial coefficient are first estimated in silico as a function a pH and solution ionic strength st...

Abstract The cross second virial coefficient $$B_{12}$$ B 12 for the interaction between water (H 2 O) and carbon monoxide (CO) was obtained with low uncertainty at temperatures from 200 K to 2000 employing a new intermolecular potential energy surface (PES) H O–CO syst...

Protein crystals usually grow at a preferable temperature which is however not known for a new protein. This paper reports a new approach for determination of favorable crystallization temperature, which can be adopted to facilitate the crystallization screening process. By taking advantage of the correlation between the temperature dependence of the second virial coefficient (B(22)) and the so...

2014 The second virial coefficient A2 for a mixture of two monodisperse polymers is studied by means of the renormalization group. It is found that the cross-term A12 has a finite limit if the segment number of one of the polymers tends to infinity. Such behaviour predicts a maximum of A2 in dependence on the relative composition of the polymers. The maximum resulting from our firstorder RG-cal...

The osmotic virial coefficient B2 of globular protein solutions is calculated as a function of added salt concentration at fixed pH by computer simulations of the "primitive model." The salt and counterions as well as a discrete charge pattern on the protein surface are explicitly incorporated. For parameters roughly corresponding to lysozyme, we find that B2 first decreases with added salt con...