Theory and simulation of short-range models of globular protein solutions

We report theoretical and simulation studies of phase coexistence in model globular protein solutions, based on short-range, central, pair potential representations of the interaction among macro-particles. After reviewing our previous investigations of hard-core Yukawa and generalized Lennard-Jones...

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Bibliographic Details
Published in:Journal of physics. Condensed matter 2004-10, Vol.16 (42), p.S4923-S4936
Main Authors: Pellicane, G, Costa, D, Caccamo, C
Format: Article
Language:English
Subjects:
Analytical, structural and metabolic biochemistry
Biological and medical sciences
Fundamental and applied biological sciences. Psychology
General aspects, investigation methods
Proteins
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Summary:We report theoretical and simulation studies of phase coexistence in model globular protein solutions, based on short-range, central, pair potential representations of the interaction among macro-particles. After reviewing our previous investigations of hard-core Yukawa and generalized Lennard-Jones potentials, we report more recent results obtained within a DLVO-like description of lysozyme solutions in water and added salt. We show that a one-parameter fit of this model, based on static light scattering and self-interaction chromatography data in the dilute protein regime, yields demixing and crystallization curves in good agreement with experimental protein-rich-protein-poor and solubility envelopes. The dependence of cloud and solubility point temperatures of the model on the ionic strength is also investigated. Our findings highlight the minimal assumptions on the properties of the microscopic interaction sufficient for a satisfactory reproduction of the phase diagram topology of globular protein solutions.
ISSN:0953-8984
1361-648X
DOI:10.1088/0953-8984/16/42/010