NDLI: Hybrid finite element and Brownian dynamics method for diffusion-controlled reactions.

Content Provider	Europe PMC
Author	Bauler, Patricia Huber, Gary A. McCammon, J. Andrew
Copyright Year	2012
Abstract	Diffusion is often the rate determining step in many biological processes. Currently, the two main computational methods for studying diffusion are stochastic methods, such as Brownian dynamics, and continuum methods, such as the finite element method. This paper proposes a new hybrid diffusion method that couples the strengths of each of these two methods. The method is derived for a general multidimensional system, and is presented using a basic test case for 1D linear and radially symmetric diffusion systems.
Related Links	https://europepmc.org/backend/ptpmcrender.fcgi?accid=PMC3350536&blobtype=pdf
ISSN	00219606
Volume Number	136
DOI	10.1063/1.4704808
PubMed Central reference number	PMC3350536
Issue Number	16
PubMed reference number	22559470
Journal	The Journal of Chemical Physics [J Chem Phys]
e-ISSN	10897690
Language	English
Publisher	American Institute of Physics
Publisher Date	2012-04-01
Access Restriction	Open
Rights License	Copyright © 2012 American Institute of Physics
Content Type	Text
Resource Type	Article
Subject	Physics and Astronomy Medicine Physical and Theoretical Chemistry

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