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. 2021 Dec 23;19(1):112. doi: 10.3390/ijerph19010112

Table 2.

MM/GBSA results for all the complexes including vdW, electrostatic and the total binding energy. All the energies are given in kcal/mol.

Complexes vdW Electrostatic SA GB Total
SANC00850−IRF3 −34.86 −27.89 −5.30 26.65 −41.41
SANC01085−IRF3 −25.20 −29.92 −2.98 17.77 −40.33
SANC00867−IRF3 −36.84 −35.38 −3.10 34.70 −40.62