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Binding energy and cluster population from docking calculations
| CONFORMATION A | CONFORMATION B | |||
|---|---|---|---|---|
| Cmpd | cluster energy (kcal/mol) | cluster population | cluster energy (kcal/mol) | cluster population |
| 1 | −8.36 | 19 | −8.15 | 8 |
| 2 | −7.95 | 32 | −7.46 | 11 |
| 3 | −6.55 | 18 | −4.88 | 4 |
| 4 | −8.19 | 12 | −7.98 | 14 |
| 5 | −8.61 | 6 | −8.75 | 8 |
