Table 3 Differences of binding free energy (Complex - Receptor - Ligand) in MMGB/PBSA for the TLR3-MEPVC complex.
Method Net Energy Component Average Std. Dev. Std. Err. of Mean
MMGBSA DWAALS -137.3068 7.0875 0.7088
EEL -393.2724 43.8913 4.3891
EGB 507.5596 41.1568 4.1157
ESURF -18.4077 0.8700 0.0870
DELTA G gas -530.5792 41.8517 4.1852
DELTA G solv 489.1519 41.4134 4.1413
DELTA TOTAL -41.4273 7.7453 0.7745
MMPBSA VDWAALS -137.3068 7.0875 0.7088
EEL -393.2724 43.8913 4.3891
EPB 462.9381 39.2924 3.9292
ENPOLAR -16.8497 0.6609 0.0661
EDISPER 0.0000 0.0000 0.0000
DELTA G gas -530.5792 41.8517 4.1852
DELTA G solv 446.0884 39.5288 3.9529
DELTA TOTAL -84.4908 10.3941 1.0394