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. 2022 Aug 5;8(8):e10070. doi: 10.1016/j.heliyon.2022.e10070

Table 12.

Binding energy.

PDB ID Name Binding Energy (KCal/Mol) Inhibition Constant (μM) Intermolecular Energy (KCal/Mol) VDW Desolv Energy
(KCal/Mol)
4m6k Human dihydrofolate reductase -7.94 1.5 -9.14 -9.07
1hnj E.coli beta-ketoacyl-acp synthase iii -7.02 7.17 -8.12 -8.18