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. 2021 Oct 5;9(10):1402. doi: 10.3390/biomedicines9101402

Table 5.

Thermodynamic binding energy of Beta-sitasterol in complex with 6IE9.

Title MMGBSA (kcal/mol)
Frame 1 −105.8395994
Frame 2 −122.4871042
Frame 3 −131.2524436
Frame 4 −113.052146
Frame 5 −139.4301793
Frame 6 −154.7243297
Frame 7 −149.2144921
Frame 8 −157.1657804
Frame 9 −164.8064715
Frame 10 −148.5722473