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We provide on this website a free access tool to calculate the standard Gibbs free energies of formation of molecules (ΔfG°) you submit. The standard Gibbs free energies of formation is obtained in aqueous solution, temperature of 25℃ and pH=7.


The method is a new group contribution method based on the group contribution method develloped by Michael L. Mavrovouniotis(1,2), the main principle of this method is that the standard Gibbs free energie of formation of a molecule can be established from contributions from its elements themself. For more details, application and validation of this method:(3).


The standard Gibbs free energies of a reaction (ΔrG°) can be calculated from (ΔfG°) of molecules values:

ΔrG°=Σ(Δfproducts of the reaction) - Σ(Δfreactants of the reaction)

The sign and the value of ΔrG° give the thermodynamic feasability of a reaction in water on standard conditions (if ΔrG°>0, the reaction is considered as thermodynamically not feasable, else, if ΔrG°>0, the reaction is considered as thermodynamically feasable).



References:


(1) Mavrovouniotis, M. L. 1990. Group contributions for estimating standard Gibbs energies of formation of biochemical-compounds in aqueous-solution. Biotechnol. Bioeng. 36:1070-1082.
(2) Mavrovouniotis, M. L. 1991. Estimation of standard Gibbs energy changes of biotransformations. J. Biol. Chem. 266:14440-14445.
(3) Jankowski, M. D., C. S. Henry,L. J. Broadbelt, and V. Hatzimanikatis. 2008. Group Contribution Method for Thermodynamic Analysis of Complex Metabolic Networks. Biophys. J. 95(3): 1487-1499.