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. 2022 Jul 27;10(8):1192. doi: 10.3390/vaccines10081192

Table 4.

MMGB/SA binding free energies estimation.

MM/GBSA
ENERGY PARAMETER MHC-I–Vaccine Complex MHC-II–Vaccine Complex
VDWAALS −188.00 −192.00
EEL −68.00 −56.00
DELTA G GAS −256.00 −248.00
DELTA G SOLV 39.00 34.00
DELTA TOTAL −217 −214