From: DOVIS 2.0: an efficient and easy to use parallel virtual screening tool based on AutoDock 4.0
PDB code | Receptor-ligand complex | All-atom model | Polar-hydrogen model | ||
---|---|---|---|---|---|
 |  | RMSD (Å) | Scorea | RMSD (Å) | Scorea |
186L | Lysozyme(L99A)/n-butylbenzene | 0.59 | 3.33 | 0.80 | 4.03 |
1ABE | Arabinose-binding protein/α-L-arabinose | 2.64 | 4.58 | 2.33 | 4.08 |
1BR6 | Ricin A chain/pteroid acid | 0.62 | 5.40 | 0.75 | 5.27 |
1KIM | Thymidine kinase/deoxythymidine | 1.17 | 3.87 | 0.73 | 4.31 |
1RBP | Retinol-binding protein/retinol | 1.98 | -18.88 | 1.54 | 5.92 |
1STP | Streptavidin/biotin | 0.83 | 5.16 | 0.81 | 5.31 |
3PTB | Trypsin/benzamidine | 0.48 | 3.37 | 0.48 | 3.54 |
4DFR | Dihydrofolatereductase/methotrexate | 5.06 | 4.59 | 5.03 | 4.23 |