4-Drugs-Combination #104 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Saquinavir
PA_A-H5N1

Docking Scores:
-9.73 -9.86 -9.93
Similarity Score:
N/A
Best Match:
N/A

L: Bictegravir
PA_A-H5N1

Docking Scores:
-10.31 -10.27 -10.01
Similarity Score:
N/A
Best Match:
N/A

L: Ledipasvir
PA_A-H5N1

Docking Scores:
-8.12 -7.67 -8.91
Similarity Score:
N/A
Best Match:
N/A

L: Oseltamivir
PA_A-H5N1

Docking Scores:
-6.21 -6.14 -6.44
Similarity Score:
N/A
Best Match:
N/A

L: Saquinavir
PA_INFA

Docking Scores:
-9.22 -8.55 -9.56
Similarity Score:
35.43%
Best Match:
CHEMBL463590

L: Bictegravir
PA_INFA

Docking Scores:
-11.03 -9.40 -9.72
Similarity Score:
30.00%
Best Match:
CHEMBL2040578

L: Ledipasvir
PA_INFA

Docking Scores:
-9.55 -10.01 -8.32
Similarity Score:
29.48%
Best Match:
CHEMBL2040569

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: Ledipasvir
PA_INFB

Docking Scores:
-8.33
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: Ledipasvir
PB2_A-H3N2

Docking Scores:
-8.46 -8.65
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: Ledipasvir
PB2_A-H5N1

Docking Scores:
-8.73 -9.10 -9.15
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