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| receptor | compound | GlideScore | ΔG MM-GBSAa |
|---|---|---|---|
| eburicol 14-α-demethylase | 3g | –7.24 | –46.65 |
| β-tubulin | 3e | –2.77 | –47.07 |
| cytochrome b | 3j | –6.16 | –65.12 |
| topoisomerase II | 3e | –5.70 | –61.86 |
GlideScore was calculated in kcal/mol. The Glide SP visualization module was used to analyze the coupled poses, and the binding free energy (kcal/mol) was calculated using molecular mechanics-generalized Born surface area (MM-GBSA).
