Table 4.
Compound ID | Cluster no. | Cluster size | MMGBSA_dG_Bind (kcal/mol) |
---|---|---|---|
CID2404 | 1 | 53 | −25.64 |
2 | 148 | −26.70 | |
CID9890128 | 1 | 31 | −17.87 |
2 | 45 | −33.05 | |
3 | 125 | 0.01 |
Compound ID | Cluster no. | Cluster size | MMGBSA_dG_Bind (kcal/mol) |
---|---|---|---|
CID2404 | 1 | 53 | −25.64 |
2 | 148 | −26.70 | |
CID9890128 | 1 | 31 | −17.87 |
2 | 45 | −33.05 | |
3 | 125 | 0.01 |