Literature DB >> 22559470

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

Patricia Bauler1, Gary A Huber, J Andrew McCammon.   

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.

Mesh:

Year:  2012        PMID: 22559470      PMCID: PMC3350536          DOI: 10.1063/1.4704808

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  25 in total

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2.  Brownian dynamics simulations of simplified cytochrome c molecules in the presence of a charged surface.

Authors:  C Gorba; T Geyer; V Helms
Journal:  J Chem Phys       Date:  2004-07-01       Impact factor: 3.488

3.  Diffusional encounter of barnase and barstar.

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4.  Computational modeling of three-dimensional electrodiffusion in biological systems: application to the node of Ranvier.

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Journal:  Biophys J       Date:  2008-06-13       Impact factor: 4.033

5.  Analysis of synaptic transmission in the neuromuscular junction using a continuum finite element model.

Authors:  J L Smart; J A McCammon
Journal:  Biophys J       Date:  1998-10       Impact factor: 4.033

6.  Multiscale modeling in rodent ventricular myocytes.

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7.  Stochastic binding of Ca2+ ions in the dyadic cleft; continuous versus random walk description of diffusion.

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Journal:  Biophys J       Date:  2008-02-08       Impact factor: 4.033

8.  Continuum simulations of acetylcholine consumption by acetylcholinesterase: a Poisson-Nernst-Planck approach.

Authors:  Y C Zhou; Benzhuo Lu; Gary A Huber; Michael J Holst; J Andrew McCammon
Journal:  J Phys Chem B       Date:  2007-12-05       Impact factor: 2.991

9.  Dynamics and calcium association to the N-terminal regulatory domain of human cardiac troponin C: a multiscale computational study.

Authors:  Steffen Lindert; Peter M Kekenes-Huskey; Gary Huber; Levi Pierce; J Andrew McCammon
Journal:  J Phys Chem B       Date:  2012-02-14       Impact factor: 2.991

10.  Diffusional channeling in the sulfate-activating complex: combined continuum modeling and coarse-grained brownian dynamics studies.

Authors:  Yuhui Cheng; Chia-En A Chang; Zeyun Yu; Yongjie Zhang; Meihao Sun; Thomas S Leyh; Michael J Holst; J Andrew McCammon
Journal:  Biophys J       Date:  2008-08-08       Impact factor: 4.033

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  6 in total

1.  Discrete-continuous reaction-diffusion model with mobile point-like sources and sinks.

Authors:  Svyatoslav Kondrat; Olav Zimmermann; Wolfgang Wiechert; Eric von Lieres
Journal:  Eur Phys J E Soft Matter       Date:  2016-01-29       Impact factor: 1.890

2.  A computational kinetic model of diffusion for molecular systems.

Authors:  Ivan Teo; Klaus Schulten
Journal:  J Chem Phys       Date:  2013-09-28       Impact factor: 3.488

Review 3.  Computational modeling of subcellular transport and signaling.

Authors:  Johan Hake; Peter M Kekenes-Huskey; Andrew D McCulloch
Journal:  Curr Opin Struct Biol       Date:  2014-02-07       Impact factor: 6.809

4.  Hybrid finite element and Brownian dynamics method for charged particles.

Authors:  Gary A Huber; Yinglong Miao; Shenggao Zhou; Bo Li; J Andrew McCammon
Journal:  J Chem Phys       Date:  2016-04-28       Impact factor: 3.488

5.  Reduced dynamic models in epithelial transport.

Authors:  Julio A Hernández
Journal:  J Biophys       Date:  2013-02-28

6.  Diagrammatic analysis of nonhomogeneous diffusion.

Authors:  Julio A Hernández
Journal:  ScientificWorldJournal       Date:  2014-12-31
  6 in total

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