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. 2024 Aug 18;10(16):e36408. doi: 10.1016/j.heliyon.2024.e36408

Table 2.

Molecular energy terms for interactions of two compounds and acarbose with α-glucosidase.

Terms Energy (kcal/mol)
3b 3c Acarbose
ΔEbinding −222.452 −260.950 −159.271
ΔEelec −308.575 −355.092 −226.624
ΔEvdW −48.521 −57.730 −42.915
ΔEpol 110.132 123.521 73.328
ΔEnpol −24.009 −29.379 −19.643