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Squares of the correlation coefficients (R2) of the linear regression of docking scores and experimental pIC50 values from 17 thiazolidinedione-type inhibitors; using different docking protocols
| Docking protocol | Closed LYP conformation |
Open LYP conformation |
|---|---|---|
| SP docking | 0.052 | 0.014 |
| XP docking | 0.027 | 5 10E-6 |
| SP induced-fit docking | 0.399 | 0.001 |
The most informative results are shown in bold
