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Average values of RMSD, RMFS, radius of gyration, SASA, intra protein hydrogen bond and inter molecular hydrogen bond of model protein, lidand and protein-ligand complex for the molecular simulation of 100 ns.
| RMSD | RMFS | Rg | SASA | Intra protein hydrogen bond | Inter molecular hydrogen bond | |
|---|---|---|---|---|---|---|
| Model protein | 0.621052 | 0.171169 | 2.476855 | 213.1524 | 398.1224 | - |
| Protein-Ligand complex | 0.532459 | 0.170058 | 2.449458 | 214.9703 | 390.4349 | 0.630537 |
| Ligand | 0.08702927 | - | - | - | - | - |
