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. 2020 Dec 21;6(1):606–614. doi: 10.1021/acsomega.0c05102

Table 2. MM/GBSA Binding Energy of (−)-Kusunokinin and Selective ARIs toward AKR1B1.

ligand MM/GBSA binding energy (kcal/mol)
(−)-kusunokinin –42.23 ± 0.09
zenarestat –29.63 ± 0.10
minalrestat –36.55 ± 0.07
epalrestat –38.96 ± 0.08