case_study_1_1 #497 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Remdesivir
SPIKE_HKU4

Docking Scores:
-6.12
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
SPIKE_HKU4

Docking Scores:
-6.25
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
SPIKE_IBV

Docking Scores:
-5.77
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
SPIKE_IBV

Docking Scores:
-5.91
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
SPIKE_MERs

Docking Scores:
-6.32 -6.33 -5.95
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
SPIKE_MERs

Docking Scores:
-6.27 -6.97 -4.91
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
SPIKE_MHV

Docking Scores:
-6.36
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
SPIKE_MHV

Docking Scores:
-6.95
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
SPIKE_PDCoV

Docking Scores:
-6.64
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
SPIKE_PDCoV

Docking Scores:
-5.82
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
SPIKE_SARS

Docking Scores:
-5.99 -6.82
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
SPIKE_SARS

Docking Scores:
-5.70 -5.88
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
SPIKE_SARS2

Docking Scores:
-5.03 -5.84 -6.23
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
SPIKE_SARS2

Docking Scores:
-5.38 -5.39 -5.36
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
VP1_9CALI

Docking Scores:
-8.36
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
VP1_9CALI

Docking Scores:
-8.27
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
VP1_NVN68

Docking Scores:
-5.62
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir triphosphate
VP1_NVN68

Docking Scores:
-5.04
Similarity Score:
N/A
Best Match:
N/A

L: Remdesivir
VP24_EBORE

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

L: Remdesivir triphosphate
VP24_EBORE

Docking Scores:
-4.72
Similarity Score:
N/A
Best Match:
N/A