• DocumentCode
    386480
  • Title

    Explicit counterions in actin polymerization simulations

  • Author

    Sept, D.

  • Author_Institution
    Dept. of Biomed. Eng., Washington Univ., St. Louis, MO, USA
  • Volume
    1
  • fYear
    2002
  • fDate
    2002
  • Abstract
    The role of electrostatic interactions and ionic strength effects in actin polymerization has been well documented. This behavior has been explained using Brownian dynamics simulations where the electrostatics were based on Poisson-Boltzmann calculations. In cases where the electrostatic potential is strong, the assumption of Boltzmann distributed ions become inaccurate since it ignores the finite size and interactions of the ions. Here I present a new method for including explicit counterions in electrostatic calculations and show how these influence actin polymerization and protein interactions in general.
  • Keywords
    biochemistry; bioelectric phenomena; electrostatics; molecular biophysics; physiological models; polymerisation; proteins; Brownian dynamics simulations; Poisson-Boltzmann calculations; actin polymerization simulations; electrostatic calculations; explicit counterions; finite size; ions interactions; protein interactions; Biological system modeling; Biomedical engineering; Boltzmann distribution; Computational biology; Computational modeling; Electrostatics; Poisson equations; Polymers; Proteins; USA Councils;
  • fLanguage
    English
  • Publisher
    ieee
  • Conference_Titel
    Engineering in Medicine and Biology, 2002. 24th Annual Conference and the Annual Fall Meeting of the Biomedical Engineering Society EMBS/BMES Conference, 2002. Proceedings of the Second Joint
  • ISSN
    1094-687X
  • Print_ISBN
    0-7803-7612-9
  • Type

    conf

  • DOI
    10.1109/IEMBS.2002.1136974
  • Filename
    1136974