Psp case study #507 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Remdesivir
2A_HE71

Docking Scores:
-7.89
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
2A_HE71

Docking Scores:
0.38
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
2A_HE71M

Docking Scores:
-7.64
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
2A_HE71M

Docking Scores:
-6.28
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
2C_HE71

Docking Scores:
-5.30 -6.54
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
2C_HE71

Docking Scores:
4.77 3.94
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
3A_9ENTO

Docking Scores:
-5.68
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
3A_9ENTO

Docking Scores:
?
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
3A_HE71M

Docking Scores:
-5.58
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
3A_HE71M

Docking Scores:
-4.36
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
3A_HED68

Docking Scores:
-5.30
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
3A_HED68

Docking Scores:
-4.94
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
3C_HE71

Docking Scores:
-5.70 -7.11
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
3C_HE71

Docking Scores:
28.05 12.19
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
3C_HED68

Docking Scores:
-6.39
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
3C_HED68

Docking Scores:
11.99
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
3D_HE71

Docking Scores:
-7.03
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
3D_HE71

Docking Scores:
10.47
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
3D_HED68

Docking Scores:
-7.95
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
3D_HED68

Docking Scores:
-4.56
Similarity Score:
N/A
Best Match:
N/A