Yixuan's drug11-virus-ckb2 #373 Output Download CSV

View All
 
  The docking scores are in the AutoDock Vina metric.
L: Remdesivir
PA_INFA

Docking Scores:
-8.30 -8.30 -7.79
Similarity Score:
25.75%
Best Match:
CHEMBL4473580

L: Telaprevir
PA_INFA

Docking Scores:
-7.85 -7.72 -8.59
Similarity Score:
31.63%
Best Match:
CHEMBL2040569

L: Boceprevir
PA_INFA

Docking Scores:
-8.27 -7.21 -8.03
Similarity Score:
22.90%
Best Match:
CHEMBL2040554

L: Narlaprevir
PA_INFA

Docking Scores:
-6.86 -6.65 -8.49
Similarity Score:
22.96%
Best Match:
CHEMBL2040640

L: Remdesivir
PA_INFB

Docking Scores:
-8.30
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir
PA_INFB

Docking Scores:
-7.63
Similarity Score:
N/A
Best Match:
N/A

L: Boceprevir
PA_INFB

Docking Scores:
-7.97
Similarity Score:
N/A
Best Match:
N/A

L: Narlaprevir
PA_INFB

Docking Scores:
-7.27
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
PB2_A-H3N2

Docking Scores:
-8.14 -7.25
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir
PB2_A-H3N2

Docking Scores:
-7.83 -7.75
Similarity Score:
N/A
Best Match:
N/A

L: Boceprevir
PB2_A-H3N2

Docking Scores:
-7.10 -7.18
Similarity Score:
N/A
Best Match:
N/A

L: Narlaprevir
PB2_A-H3N2

Docking Scores:
-7.98 -6.66
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
PB2_A-H5N1

Docking Scores:
-6.86 -7.14 -7.58
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir
PB2_A-H5N1

Docking Scores:
-6.57 -7.92 -7.13
Similarity Score:
N/A
Best Match:
N/A

L: Boceprevir
PB2_A-H5N1

Docking Scores:
-6.30 -6.88 -6.69
Similarity Score:
N/A
Best Match:
N/A

L: Narlaprevir
PB2_A-H5N1

Docking Scores:
-6.68 -7.13 -6.56
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
PB2_INFB

Docking Scores:
-7.70
Similarity Score:
N/A
Best Match:
N/A

L: Telaprevir
PB2_INFB

Docking Scores:
-7.80
Similarity Score:
N/A
Best Match:
N/A

L: Boceprevir
PB2_INFB

Docking Scores:
-6.98
Similarity Score:
N/A
Best Match:
N/A

L: Narlaprevir
PB2_INFB

Docking Scores:
-7.47
Similarity Score:
N/A
Best Match:
N/A