3-Drugs-Combinations #103 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Oseltamivir
PA_INFA

Docking Scores:
-7.24 -6.19 -6.21
Similarity Score:
31.13%
Best Match:
CHEMBL2040554

L: Saquinavir
PA_INFB

Docking Scores:
-9.27
Similarity Score:
N/A
Best Match:
N/A

L: Bictegravir
PA_INFB

Docking Scores:
-9.27
Similarity Score:
N/A
Best Match:
N/A

L: Oseltamivir
PA_INFB

Docking Scores:
-5.92
Similarity Score:
N/A
Best Match:
N/A

L: Saquinavir
PB2_A-H3N2

Docking Scores:
-9.77 -8.06
Similarity Score:
N/A
Best Match:
N/A

L: Bictegravir
PB2_A-H3N2

Docking Scores:
-9.42 -10.01
Similarity Score:
N/A
Best Match:
N/A

L: Oseltamivir
PB2_A-H3N2

Docking Scores:
-6.23 -6.46
Similarity Score:
N/A
Best Match:
N/A

L: Saquinavir
PB2_A-H5N1

Docking Scores:
-8.29 -7.95 -8.58
Similarity Score:
N/A
Best Match:
N/A

L: Bictegravir
PB2_A-H5N1

Docking Scores:
-7.99 -9.45 -9.20
Similarity Score:
N/A
Best Match:
N/A

L: Oseltamivir
PB2_A-H5N1

Docking Scores:
-6.50 -5.64 -6.49
Similarity Score:
N/A
Best Match:
N/A

L: Saquinavir
PB2_INFB

Docking Scores:
-8.43
Similarity Score:
N/A
Best Match:
N/A

L: Bictegravir
PB2_INFB

Docking Scores:
-9.64
Similarity Score:
N/A
Best Match:
N/A

L: Oseltamivir
PB2_INFB

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

L: Saquinavir
PB3_A-H3N2

Docking Scores:
-8.17
Similarity Score:
N/A
Best Match:
N/A

L: Bictegravir
PB3_A-H3N2

Docking Scores:
-8.72
Similarity Score:
N/A
Best Match:
N/A

L: Oseltamivir
PB3_A-H3N2

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

L: Saquinavir
PB4_A-H3N2

Docking Scores:
-9.38
Similarity Score:
N/A
Best Match:
N/A

L: Bictegravir
PB4_A-H3N2

Docking Scores:
-9.98
Similarity Score:
N/A
Best Match:
N/A

L: Oseltamivir
PB4_A-H3N2

Docking Scores:
-6.11
Similarity Score:
N/A
Best Match:
N/A

L: Saquinavir
PLP_SARS

Docking Scores:
-9.13 -11.03 -11.05
Similarity Score:
36.79%
Best Match:
CHEMBL213054