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This formulation assumes that (1) the intracellular temperature T is constant and equal to that in the medium, (2) there is no local variation in the concentration of the metabolites meaning that the Temsirolimus is completely homogeneous, and (3) the molecules are volumeless points over which molecular crowding inside the cell has no effect. Here, the thermodynamic analysis is focused on the intracellular reactions (constraints given by Eqs. (10)– (13)). However, the mass balance (Eq. (7)) also includes the exchange flux to/from the extracellular medium. Eqs. (8) and (9) represent the lower/upper limits of the variables vk and Ci, respectively.
Since the net flux of a reaction k, vk, goes into the direction of the Gibbs free energy drop, variables vk and View the MathML sourceΔrGk\' should have opposite sign. This condition is fulfilled by Eq. (10).
Eq. (11) guarantees that if View the MathML sourceΔrGk\' is predicted to be zero, i.e. abs(ΔrGk\')