Table 2.
NSPs | Drug_ID | DB00150 | DB01977 | DB02441 | DB03225 | DB03314 | DB07132 | DB07535 | DB08136 | DB08466 | DB12291 |
---|---|---|---|---|---|---|---|---|---|---|---|
NSP 3 | Binding energy in Kcal/mol of 6wuu | −6.4 | −8.4 | −7.3 | −6.3 | −6.7 | −8.3 | −8.2 | −7.6 | −7.1 | −7.5 |
NSP 5 | Binding energy in Kcal/mol of 6wuu | −7.3 | −9.2 | −6.6 | −7.3 | −7.2 | −9 | −8.2 | −7.7 | −7.2 | −8.4 |
Binding energy in Kcal/mol of 6wuu | −7.1 | −8.2 | −6.9 | −7 | −6.7 | −7.5 | −8.6 | −7.7 | −7.2 | −7.4 | |
NSP 10 | Binding energy in Kcal/mol of 6wuu | −6.1 | −7.1 | −6 | −6.1 | −7 | −7.2 | −6.9 | −6.5 | −6.3 | |
NSP 11 | Binding energy in Kcal/mol of 6wuu | −6 | −7.7 | −7 | −6.1 | −6.3 | −7.3 | −7.5 | −7.2 | −6.2 | −6.9 |
Binding energy in Kcal/mol of 6wuu | −6.8 | −8 | −6.7 | −6.8 | −6.6 | −7.3 | −7.5 | −7.3 | −7 | −7.2 | |
NSP 14 | Binding energy in Kcal/mol of 6wuu | −7 | −8.8 | −6.9 | −7 | −7.2 | −8 | −8.6 | −7.9 | −7.2 | −7.8 |
Binding energy in Kcal/mol of 6wuu | −7.2 | −8.1 | −7.2 | −7.6 | −7.6 | −7.1 | −8 | −7.1 | −7 | −8.3 | |
Binding energy in Kcal/mol of 6wuu | −7.1 | −8.1 | −7.3 | −7.1 | −7.3 | −7.8 | −8.2 | −7.8 | −7 | −8.2 | |
Binding energy in Kcal/mol of 6wuu | −7 | −7.8 | −6.9 | −7.1 | −7.1 | −7.8 | −7.3 | −7.2 | −6.9 | −7.9 | |
Binding energy in Kcal/mol of 6wuu | −7.1 | −7.8 | −6.9 | −7.1 | −7.2 | −8.2 | −7.6 | −7.3 | −7.2 | −7.7 | |
Binding energy in Kcal/mol of 6wuu | −7.4 | −8.1 | −6.9 | −7.3 | −7.5 | −7.9 | −7.8 | −7.2 | −7.5 | −7.8 | |
Binding energy in Kcal/mol of 6wuu | −7.2 | −7.9 | −7 | −7.2 | −7.4 | −8.4 | −7.9 | −7.4 | −7.4 | −7.8 | |
Binding energy in Kcal/mol of 6wuu | −7.1 | −7.9 | −6.9 | −7.1 | −7.3 | −8 | −7.8 | −7.3 | −7.3 | −7.8 | |
Binding energy in Kcal/mol of 6wuu | −7.1 | −7.9 | −7 | −7.1 | −7.3 | −8.1 | −7.8 | −7.2 | −7.3 | −7.8 | |
NSP 15 | Binding energy in Kcal/mol of 6wuu | −6.7 | −8.2 | −6.6 | −6.7 | −7.1 | −8 | −8.3 | −7.6 | −6.9 | −7.6 |
Binding energy in Kcal/mol of 6wuu | −7 | −8.3 | −6.6 | −7 | −6.9 | −7.4 | −8.2 | −7.5 | −7.1 | −7.5 | |
Binding energy in Kcal/mol of 6wuu | −6.9 | −7.5 | −6.6 | −6.9 | −7 | −8.5 | −7.9 | −7 | −6.9 | −6.8 |
Note: The binding energy given above are for the poses with RMSD = 0.