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Energy Balance Analysis Reference Paper: Beard et al. Energy Balance for Analysis of Complex Metabolic Networks. Biophysical Journal 83, 79-86 (2002) Presented.

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Presentation on theme: "Energy Balance Analysis Reference Paper: Beard et al. Energy Balance for Analysis of Complex Metabolic Networks. Biophysical Journal 83, 79-86 (2002) Presented."— Presentation transcript:

1 Energy Balance Analysis Reference Paper: Beard et al. Energy Balance for Analysis of Complex Metabolic Networks. Biophysical Journal 83, 79-86 (2002) Presented by Tony

2 The Basic Idea Mass conservation (FBA) is not enough. More thermodynamic constraints:  Chemical potential balance (First law of thermodynamics)  Positive entropy change for each reaction (Second law of thermodynamics)

3 Null Space Vectors of S  Stoicheiometric matrix after combining redundant fluxes and removing the columns that correspond to boundary fluxes.  Null space vectors of S. n is the nullity of S

4 Global Potential Energy Balance  Chemical potential differences associated with the reaction fluxes.

5 Positive Entropy Production or

6 Application #1: 5-reaction model TABLE 1 Comparison of fluxes predicted by FBA and EBA for the example system illustrated in Fig. 2 Identifier FBAFBA/EBAFBAFBA/EBAFBAFBA/EBA Reaction 1 0.06000.0940 0.1540 Reaction 2 0.36000.19300.4451 Reaction 30.04010.39200.6432 Reaction 40.3000 0.10000.4010 Reaction 5 0.334 10.70710.9560 Input of A110000 Input of B001100 Input of C000011 Output of D111133

7 Application #2: E.coli Model Same optimal growth rate One particular optimal solution to FBA

8 Estimation of Reaction Potentials

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