Monte Carlo simulations of flexible polyanions complexing with whey proteins at their isoelectric point

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Abstract

The complexation of globular proteins with flexible polyelectrolytes with homogeneous, oppositely charged spheres was discussed using Monte Carlo simulations. The proteins were considered at their respective isoelectric points. A coarse-grained model of the protein shape was also considered in order to take into account the protein excluded volume. A simple statistical analysis of the surface charge density was found sufficient for identifying potential polyelectrolyte binding regions. The protein-only approach identified only possible regions of polyelectrolyte binding, and did not account for any of the polyelectrolyte properties tha influenced binding.
Original languageEnglish
Pages (from-to)3475-3481
JournalJournal of Chemical Physics
Volume120
Issue number7
DOIs
Publication statusPublished - 2004

Keywords

  • polyelectrolyte-macroion complexation
  • continuous capillary-electrophoresis
  • heterogeneously charged surfaces
  • bovine serum-albumin
  • light-scattering
  • chain flexibility
  • opposite charge
  • adsorption
  • polymer
  • binding

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