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. 2021 Sep 29;11(10):1025. doi: 10.3390/life11101025

Table 2.

ΔG in kcal/mol for reactions in the TCA cycle without co-factors.

Step Reaction Alberty eQuil Quantum
(Neutral)
Quantum
(Anions)
Jankowski
1 ACE + OXA → CIT −0.81 −1.19 +2.49 +8.97 −0.71
2 CIT → CAC + H2O +2.01 +2.80 +3.80 −3.34 +4.59
3 CAC + H2O → ISC −0.43 +1.14 −3.02 +3.29 −3.17
4 ISC → OXS + H2 +19.04 +11.09 +17.22 +11.30 +8.02
5 OXS + H2O → AKG + H2CO3 −9.69 −2.31 −8.46 −7.51 −12.83
6 AKG + H2O → SUC + H2 + H2CO3 −6.75 −4.54 −7.98 −3.63 −4.16
7 SUC → FUM + H2 +25.38 +23.78 +27.12 +21.53 +19.12
8 FUM + H2O → MAL −0.86 −0.74 −1.22 +4.74 −3.73
9 MAL → OXA + H2 +16.01 +14.60 +15.08 +14.26 +8.02
Net Cycle: +43.90 +44.63 +45.03 +49.61 +15.15