Table . Drug-Drug comparative study.
| Virtual Screened Drug CID: 127263272 | Established drug CID:117951478 | |||
| Energy overview: Descriptors | MolDock Score | Rerank Score | MolDock Score | Rerank Score |
| Total Energy | -193.236 | -151.724 | -200.215 | -161.944 |
| External Ligand interactions | -225.405 | -188.661 | -226.851 | -191.146 |
| Protein - Ligand interactions | -225.405 | -188.661 | -226.851 | -191.146 |
| Steric (by PLP) | -220.879 | -151.523 | -221.615 | -152.028 |
| Steric (by LJ12-6) | -33.554 | -34.971 | ||
| Hydrogen bonds | -4.526 | -3.584 | -5.236 | -4.147 |
| Internal Ligand interactions | 32.169 | 36.937 | 26.636 | 29.202 |
| Torsional strain | 20.749 | 19.463 | 12.76 | 11.969 |
| Torsional strain (sp2-sp2) | 3.801 | 3.798 | ||
| Hydrogen bonds | 0 | 0 | ||
| Steric (by PLP) | 11.42 | 1.964 | 13.876 | 2.387 |
| Steric (by LJ12-6) | 11.71 | 11.048 |