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. 2022 May 21;13(5):12003–12020. doi: 10.1080/21655979.2021.2011631

Table 4.

CDOCKER potential energy of compounds with AKT1 under CHARMM force field

Compounds -CDOCKER Potential Energy (kcal/mol)
ZINC000049872065 58.7801
ZINC000021992902 56.4843
Ipatasertib 49.9388