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. 2022 Mar 17;13:849084. doi: 10.3389/fmicb.2022.849084

TABLE 3.

The MM-GBSA binding energy of the binary complexes (CyPA:NS5A; MxB:NS5A) and ternary complex (CyPA:NS5A–MxB).

Complex Time (ps) Average binding energy (kcal/mol) Std error of the mean (kcal/mol)
CyPA:NS5A 10,000 -61.57 1.03
MxB:NS5A 10,000 -105.33 1.99
CyPA:NS5A–MxB 10,000 -44.14 1.37

CypA, cyclophilin A; NS5A, non-structural protein 5A; MxB, myxovirus resistance B.