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Article
Calculations of the Second Virial Coefficients of Protein Solutions with an Extended Fast Multipole Method
Physical Review E
  • Bongkeun Kim, Iowa State University
  • Xueyu Song, Iowa State University
Document Type
Article
Disciplines
Publication Version
Published Version
Publication Date
1-1-2011
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
Citation Information
Bongkeun Kim and Xueyu Song. "Calculations of the Second Virial Coefficients of Protein Solutions with an Extended Fast Multipole Method" Physical Review E Vol. 83 Iss. 1 (2011) p. 1 - 15
Available at: http://works.bepress.com/xueyu-song/17/