From: In silico design of a multi-epitope vaccine against HPV16/18
Energy component | TLR4 | Vaccine | TLR4-vaccine complex |
---|---|---|---|
MM-PBSA | |||
Van der waals | − 4972.65 | − 3443.31 | − 8588.79 |
Electrostatic | − 42,296.36 | − 34,194.44 | − 75,233.52 |
Polar solvation | − 7379.77 | − 6204.95 | − 14,714.86 |
Non-polar solvation | 130.07 | 130.32 | 237.22 |
Delta gas phase | − 47,269.01 | − 37,637.75 | − 83,822.31 |
Delta solvation phase | − 7249.7 | − 6074.63 | − 14,477.64 |
Delta total | − 54,518.71 | − 43,712.38 | − 98,299.95 |
MM-GBSA | |||
Van der waals | − 4972.65 | − 3443.31 | − 8588.79 |
Electrostatic | − 42,296.36 | − 34,194.44 | − 75,233.52 |
Polar solvation | − 8208.54 | − 6899 | − 16,238.59 |
Non-polar solvation | 194.93 | 212.74 | 383.79 |
Delta gas phase | − 47,269.01 | − 37,637.75 | − 83,822.31 |
Delta solvation phase | − 8013.61 | − 6686.26 | − 15,854.8 |
Delta total | − 55,282.62 | − 44,324.01 | − 99,677.11 |