Physically-plausible modelling of biomolecular systems: A simplified, energy-based model of the mitochondrial electron transport chain

JOURNAL OF THEORETICAL BIOLOGY

卷:493

Article

Gawthrop, Peter J.^1,2  Cudmore, Peter^1,3  Crampin, Edmund J.^1,2,3 

[1] Univ Melbourne, Melbourne Sch Engn, Dept Biomed Engn, Syst Biol Lab, Melbourne, Vic 3010, Australia

[2] Univ Melbourne, Sch Math & Stat, Syst Biol Lab, Melbourne, Vic 3010, Australia

[3] Univ Melbourne, ARC Ctr Excellence Convergent Bionano Sci & Techn, Sch Chem & Biomed Engn, Melbourne Sch Engn, Melbourne, Vic 3010, Australia

关键词: Systems biology;    Thermodynamical modelling;    Bond graph;    Computational biology;   

DOI  :  10.1016/j.jtbi.2020.110223

来源: Elsevier

【 摘 要 】

Advances in systems biology and whole-cell modelling demand increasingly comprehensive mathematical models of cellular biochemistry. Such models require the development of simplified representations of specific processes which capture essential biophysical features but without unnecessarily complexity. Recently there has been renewed interest in thermodynamically-based modelling of cellular processes. Here we present an approach to developing of simplified yet thermodynamically consistent (hence physically plausible) models which can readily be incorporated into large scale biochemical descriptions but which do not require full mechanistic detail of the underlying processes. We illustrate the approach through development of a simplified, physically plausible model of the mitochondrial electron transport chain and show that the simplified model behaves like the full system. (C) 2020 Elsevier Ltd. All rights reserved.

【 授权许可】

Free