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. 2023 Mar 31;11(4):912. doi: 10.3390/microorganisms11040912

Table 2.

Predicted RBD–ACE2 interaction energy. Values of interaction energy are expressed in Kcal/mol.

BA.2 XBB XBB.1 XBB.1.5
Foldx 5.0 −6.19 ± 0.32 −3.54 ± 0.30 −3.54 ± 0.30 −4.57 ± 0.27
PRODIGY −11.70 ± 0.05 −11.48 ± 0.05 −11.48 ± 0.05 −10.84 ± 0.05
MM/GBSA −68.43 ± 2.10 −60.82 ± 0.99 −60.82 ± 0.99 −62.44 ± 2.28