Bond Graphs Unify Stoichiometric Analysis and Thermodynamics

TL;DR

This paper introduces a method to integrate stoichiometric models with thermodynamic principles using bond graphs, enhancing the consistency and accuracy of whole-cell modeling.

Contribution

It presents a novel approach that unifies stoichiometric analysis and thermodynamics through bond graphs, advancing systems biology modeling techniques.

Findings

Demonstrates how bond graphs can incorporate thermodynamic constraints into stoichiometric models

Provides a framework for more thermodynamically consistent whole-cell models

Bridges the gap between stoichiometry and thermodynamics in biomolecular systems

Abstract

Whole-cell modelling is constrained by the laws of nature in general and the laws of thermodynamics in particular. This paper shows how one prolific source of information, stoichiometric models of biomolecular systems, can be integrated with thermodynamic principles using the bond graph approach to network thermodynamics.