Physics – Condensed Matter – Soft Condensed Matter
Scientific paper
2002-05-27
Physics
Condensed Matter
Soft Condensed Matter
43 pages, including 17 figures
Scientific paper
10.1103/PhysRevE.67.051404
The osmotic virial coefficient $B_2$ 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 counter-ions as well as a discrete charge pattern on the protein surface are explicitly incorporated. For parameters roughly corresponding to lysozyme, we find that $B_2$ first decreases with added salt concentration up to a threshold concentration, then increases to a maximum, and then decreases again upon further raising the ionic strength. Our studies demonstrate that the existence of a discrete charge pattern on the protein surface profoundly influences the effective interactions and that non-linear Poisson Boltzmann and Derjaguin-Landau-Verwey-Overbeek (DLVO) theory fail for large ionic strength. The observed non-monotonicity of $B_2$ is compared to experiments. Implications for protein crystallization are discussed.
Allahyarov Elshad
Hansen James P.
Louis Anthony
Löwen Hartmut
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