Interactions between proteins are often sufficiently weak that their study through the use of conventional structural techniques becomes problematic. Of the few techniques capable of providing experimental measures of weak protein-protein interactions, perhaps the most useful is the second virial coefficient, B(22), which quantifies a protein solution's deviations from ideal behavior. It has lo...

The authors construct a rigid-body (five-dimensional) potential energy surface for the water-nitrogen complex using the systematic intermolecular potential extrapolation routine. The intermolecular potential is then extrapolated to the limit of a complete basis set. An analytic fit of this surface is obtained, and, using this, the global minimum energy is found. The minimum is located in an arr...

Hall, K.R., Iglesias-Silva, G.A. and Mansoori, G.A., 1993. Quadratic mixing rules for equations of state. Origins and relationships to the virial expansion. Fluid Phase Equilibria, 91: 67-76. Quadratic mixing rules, originally proposed by van der Waals, are used extensively in mixture calculations involving equations of state. Several ways exist to derive such mixing rules from the principles o...

The quantum–mechanical formulations for the second-virial, and acoustic virial, coefficients are derived spin-polarized atomic hydrogen (H?). dependence of these on temperature T as well nuclear polarization $$\zeta \;$$ is analyzed. This done first time. main inputs in computations scattering phase shifts, which obtained using Lippmann–Schwinger equation, with Silvera triplet-state potential. ...

A relationship between the osmotic second virial coefficient of proteins in aqueous salt solutions, the solubility of proteins in these solutions and the salt concentration is presented. The model developed considers that the solid-liquid equilibrium is established with neutral protein molecules and that the relationship between the protein solubility and the salt concentration follows Cohn's e...

New model xDLVO-CGhybr calculating second osmotic virial coefficient of protein solutions is developed. Data calculated agrees well with experiments due to accurate estimation electrostatic protein–protein interactions using a hybrid methodology.

Bacteria typically have a few thousand different proteins. The number of proteins with a given charge is a roughly Gaussian function of charge — centred near zero, and with a width around ten (in units of the charge on the proton). We have used the charges on E. coli’s proteins to estimate the changes in the second virial coefficients of all its proteins as the concentration of a 1:1 salt is in...

It was recently shown that vapor-liquid coexistence densities derived from Mie and Yukawa models collapse to define a single master curve when represented against the difference between the reduced second virial coefficient at the corresponding temperature and that at the critical point. In this work, we further test this proposal for another generalization of the Lennard-Jones pair potential. ...