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Binding free energies and energy components of MAPK1 predicted by MM/GBSA.
| System Name | MAPK1/Crystal_Ligand | MAPK1/MOL000359 | MAPK1/MOL005828 |
|---|---|---|---|
| ΔEvdw | −57.31± 2.84 | −57.09 ± 2.56 | −50.19 ± 2.73 |
| ΔEelec | −48.87 ± 10.21 | 1.65 ± 1.30 | −11.26 ± 3.86 |
| ΔGGB | 70.44± 9.18 | 27.54 ± 2.73 | 39.15 ± 2.44 |
| ΔGSA | −7.25± 0.23 | −6.73 ± 0.21 | −6.65 ± 0.26 |
| ΔGbind | −43.00± 2.11 | −34.62 ± 1.37 | −28.95 ± 2.05 |
