Table 4 Results of MM-PBSA calculations.

From: Development of multi epitope subunit vaccines against emerging carp viruses Cyprinid herpesvirus 1 and 3 using immunoinformatics approach

Complex with vaccine

van der Waal energy (kJ mol−1)

Electrostatic energy (kJ mol−1)

Polar solvation energy (kJ mol−1)

Solvent accessible surface area energy (kJ mol−1)

Binding energy (ΔGbinding) (kJ mol−1)

TLR3-V1

− 359.415 (16.586)

− 2105.109 (80.707)

1346.007 (64.923)

− 54.622 (2.659)

− 1175.405 (40.281)

TLR3-V2

− 414.088 (4.707)

− 2310.507 (12.856)

1256.994 (19.352)

− 59.154 (0.566)

− 1524.915 (16.130)

TLR5-V1

− 636.303 (16.658)

− 2982.461 (23.163)

1728.381 (41.431)

− 87.564 (2.053)

− 1975.729 (15.395)

TLR5-V2

− 574.375 (6.279)

− 6631.372 (37.729)

2793.773 (44.692)

− 93.826 (0.788)

− 4499.848 (28.268)

  1. Standard deviations are given in parentheses.