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Parameters of AutoDock used in docking analysis
| Lead compounds |
Centre |
Size (X-axis* Y-axis* Z-axis) | Rate of gene mutation | Rate of crossover | Binding affinity (Kcal/mol) | ||
|---|---|---|---|---|---|---|---|
| X-axis | Y-axis | Z-axis | |||||
|
A |
5.52 |
61.778 |
35.2 |
40*40*40 |
0.02 |
0.8 |
−4.8 |
|
B |
5.846 |
61.933 |
35.423 |
40*40*40 |
0.02 |
0.8 |
−4.9 |
|
C |
5.846 |
61.933 |
35.423 |
40*40*40 |
0.02 |
0.8 |
−8.6 |
| D | 5.846 | 61.933 | 35.423 | 40*40*40 | 0.02 | 0.8 | −9.9 |
