Table 3.
Compound ID | Cluster no. | Cluster size | MMGBSA_dG_Bind (kcal/mol) |
---|---|---|---|
DB00358 | 1 | 57 | −16.44 |
2 | 43 | −29.32 | |
DB04824 | 1 | 64 | −40.28 |
2 | 60 | −31.63 | |
3 | 53 | −17.93 | |
4 | 24 | −21.77 | |
DB09219 | 1 | 157 | −31.94 |
2 | 44 | −31.78 | |
DB12301 | 1 | 109 | −24.20 |
2 | 39 | −10.41 | |
3 | 31 | −19.04 | |
4 | 22 | −20.15 |