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
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