Table 3. Best Energy Score for Docking of Drugs into Specified Homology Models Using GOLD and Scoring Docking Poses with ChemPLP.
ChemPLP |
|||
---|---|---|---|
drug | MthK(1LNQ) | 3F5W | 3F7V |
S-bupivacaine | 73.3 | 56.8 | 11.2 |
cavalli-2 | 90.1 | 74.7 | 26.8 |
cavalli-6 | 99.0 | 87.1 | 32.1 |
cisapride | 88.4 | 72.5 | 18.9 |
chloroquine | 78.1 | 63.1 | 21.4 |
dofetilide | 77.3 | 65.7 | 22.1 |
E-4031 | 79.8 | 66.5 | 23.3 |
haloperidol | 83.8 | 71.9 | 19.3 |
terfenadine | 97.8 | 84.4 | 34.5 |