Table 5.
Binding energies of CqGST molecules with metalaxyl
Protein molecules | Run | Binding energy | Cluster RMSD | Reference RMSD |
---|---|---|---|---|
CqGSTU1 | 2 | − 3.63 | 0.00 | 99.10 |
CqGSTF1 | 25 | − 5.21 | 0.00 | 97.63 |
CqGSTL1 | 24 | − 4.77 | 0.00 | 90.22 |
CqGSTT1 | 18 | − 3.25 | 0.00 | 98.47 |
CqGSTZ1 | 22 | − 2.66 | 0.00 | 93.71 |
CqGSTDHAR1 | 13 | − 2.52 | 0.00 | 106.64 |
CqGSTH1 | 10 | − 3.26 | 0.00 | 179.61 |
CqGSTMi1 | 7 | + 6.7 | 0.00 | 115.18 |
CqGSTGHR1 | 1 | − 3.7 | 0.00 | 113.82 |