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eGFRD in all dimensions

Authors :
Nils B. Becker
Kazunari Kaizu
Marileen Dogterom
Joris Paijmans
Thomas Miedema
Laurens Bossen
Pieter Rein ten Wolde
Koichi Takahashi
Thomas R. Sokolowski
Martijn Wehrens
Source :
Journal of Chemical Physics
Publication Year :
2017
Publisher :
arXiv, 2017.

Abstract

Biochemical reactions typically occur at low copy numbers, but at once in crowded and diverse environments. Space and stochasticity therefore play an essential role in biochemical networks. Spatial-stochastic simulations have become a prominent tool for understanding how stochasticity at the microscopic level influences the macroscopic behavior of such systems. However, while particle-based models guarantee the level of detail necessary to accurately describe the microscopic dynamics at very low copy numbers, the algorithms used to simulate them oftentimes imply trade-offs between computational efficiency and accuracy. eGFRD (enhanced Green's Function Reaction Dynamics) is an exact algorithm that evades such trade-offs by partitioning the N-particle system into M<br />Comment: 30 pages and 70 pages of supplementary information, 6 figures and 10 supplementary figures

Details

Database :
OpenAIRE
Journal :
Journal of Chemical Physics
Accession number :
edsair.doi.dedup.....a73b2c008f9cf9182fb7fc00116d66ef
Full Text :
https://doi.org/10.48550/arxiv.1708.09364