Literature DB >> 27225430

A numerical scheme for the early steps of nucleation-aggregation models.

Harvey Thomas Banks1, Marie Doumic2, Carola Kruse3.   

Abstract

In the formation of large clusters out of small particles, the initializing step is called the nucleation, and consists in the spontaneous reaction of agents which aggregate into small and stable polymers called nuclei. After this early step, the polymers are involved in a number of reactions such as polymerization, fragmentation and coalescence. Since there may be several orders of magnitude between the size of a particle and the size of an aggregate, building efficient numerical schemes to capture accurately the kinetics of the reaction is a delicate step of key importance. In this article, we propose a conservative scheme, based on finite volume methods on an adaptive grid, which is capable of simulating well the early steps of the reaction as well as the later chain reactions.

Entities:  

Keywords:  Adaptive grid; Aggregation-fragmentation models; Finite volume schemes; Polymerization

Mesh:

Substances:

Year:  2016        PMID: 27225430     DOI: 10.1007/s00285-016-1026-0

Source DB:  PubMed          Journal:  J Math Biol        ISSN: 0303-6812            Impact factor:   2.259


  3 in total

1.  Quantifying the kinetic parameters of prion replication.

Authors:  J Masel; V A Jansen; M A Nowak
Journal:  Biophys Chem       Date:  1999-03-29       Impact factor: 2.352

Review 2.  Prion dynamics and the quest for the genetic determinant in protein-only inheritance.

Authors:  Suzanne S Sindi; Tricia R Serio
Journal:  Curr Opin Microbiol       Date:  2009-10-26       Impact factor: 7.934

3.  An efficient kinetic model for assemblies of amyloid fibrils and its application to polyglutamine aggregation.

Authors:  Stéphanie Prigent; Annabelle Ballesta; Frédérique Charles; Natacha Lenuzza; Pierre Gabriel; Léon Matar Tine; Human Rezaei; Marie Doumic
Journal:  PLoS One       Date:  2012-11-13       Impact factor: 3.240

  3 in total
  1 in total

1.  Computer Simulations Aimed at Exploring Protein Aggregation and Dissociation.

Authors:  Phuong H Nguyen; Philippe Derreumaux
Journal:  Methods Mol Biol       Date:  2022
  1 in total

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