Table 1.
AutoDock Vina (ADV) docking results in kcal/mol.
Structure | Min. | 1st Quartile | Median | Mean | 3rd Quartile | Max. | SD † |
---|---|---|---|---|---|---|---|
NS2B-NS3 | −7.400 | −7.300 | −7.300 | −7.319 | −7.300 | −7.300 | 0.0394277 |
NS1 rep. 1 | −6.985 | −6.775 | −6.743 | −6.735 | −6.681 | −6.544 | 0.0835779 |
NS1 rep. 3 | −6.899 | −6.656 | −6.606 | −6.634 | −6.591 | −6.568 | 0.0655191 |
NS1 rep. 5 | −8.347 | −8.011 | −7.928 | −7.974 | −7.853 | −7.830 | 0.1553613 |
7ZYS & | −5.6723 | - | - | - | - | - | - |
SD † = standard deviation; & NS2B-NS3 crystal structure.