Campus Units

Chemistry

Document Type

Article

Publication Version

Published Version

Publication Date

1-2011

Journal or Book Title

Physical Review E

Volume

83

Issue

1

First Page

1

Last Page

15

DOI

10.1103/PhysRevE.83.011915

Abstract

The osmotic second virial coefficients B2 are directly related to the solubility of protein molecules in electrolyte solutions and can be useful to narrow down the search parameter space of protein crystallization conditions. Using a residue level model of protein-protein interaction in electrolyte solutions B2 of bovine pancreatic trypsin inhibitor and lysozyme in various solution conditions such as salt concentration, pH and temperature are calculated using an extended fast multipole method in combination with the boundary element formulation. Overall, the calculated B2 are well correlated with the experimental observations for various solution conditions. In combination with our previous work on the binding affinity calculations it is reasonable to expect that our residue level model can be used as a reliable model to describe protein-protein interaction in solutions.

Comments

This article is from Physical Review E 83 (2011): 011915, doi:10.1103/PhysRevE.83.011915. Posted with permission.

Copyright Owner

American Physical Society

Language

en

File Format

application/pdf

Included in

Chemistry Commons

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