PSP case study #520 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:
-7.69
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:
-7.39
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:
-5.54 -6.54
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:
-5.00
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:
-4.54
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:
-5.14
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:
-5.91 -5.52
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:
-5.33
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:
-7.46
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:
-7.81
Similarity Score:
N/A
Best Match:
N/A