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. 2022 Jun 24;7(27):23083–23095. doi: 10.1021/acsomega.2c00336

Table 6. Results Calculated by the ONIOM Study of the Protein–Polyphenol Complexes.

bond dissociation enthalpy (kcal/mol)     ionization enthalpy (kcal/mol)  
polyphenols free bound free bound
apigenin 200.8 115.2 94.1 62.2
luteolin 257.2 207.7 194.5 97.3
eriodictyol 414.2 463.5 202.3 232.4