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. 2019 Jun 4;14(6):e0217270. doi: 10.1371/journal.pone.0217270

Table 6. MM/PBSA and MM/GBSA calculations for compounds 5i and 5j.

Compound ΔG (MM/PBSA) ΔG (MM/GBSA)
5i –5.803 –18.841
5j –7.004 –21.346