Case_study_1_mini #498 Output Download CSV

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Gene Protein
 
  The docking scores are in the AutoDock Vina metric.
L: Paxlovid
PA_INFA

Docking Scores:
-8.22 -7.35 -7.70
Similarity Score:
24.03%
Best Match:
CHEMBL2040554

L: Molnupiravir
PA_INFA

Docking Scores:
-7.32 -8.08 -7.92
Similarity Score:
24.75%
Best Match:
CHEMBL3944613

L: Paxlovid
PA_INFB

Docking Scores:
-7.39
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
PA_INFB

Docking Scores:
-7.16
Similarity Score:
N/A
Best Match:
N/A

L: Paxlovid
PB2_A-H3N2

Docking Scores:
-7.29 -7.64
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
PB2_A-H3N2

Docking Scores:
-6.75 -7.37
Similarity Score:
N/A
Best Match:
N/A

L: Paxlovid
PB2_A-H5N1

Docking Scores:
-7.64 -6.94 -7.42
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
PB2_A-H5N1

Docking Scores:
-6.84 -6.68 -7.11
Similarity Score:
N/A
Best Match:
N/A

L: Paxlovid
PB2_INFB

Docking Scores:
-7.22
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
PB2_INFB

Docking Scores:
-7.04
Similarity Score:
N/A
Best Match:
N/A

L: Paxlovid
PB3_A-H3N2

Docking Scores:
-7.79
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
PB3_A-H3N2

Docking Scores:
-7.40
Similarity Score:
N/A
Best Match:
N/A

L: Paxlovid
PB4_A-H3N2

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

L: Molnupiravir
PB4_A-H3N2

Docking Scores:
-7.07
Similarity Score:
N/A
Best Match:
N/A

L: Paxlovid
PLP_SARS

Docking Scores:
-7.34 -7.42 -8.27
Similarity Score:
42.86%
Best Match:
CHEMBL213054

L: Molnupiravir
PLP_SARS

Docking Scores:
-7.99 -7.86 -8.13
Similarity Score:
20.66%
Best Match:
CHEMBL213054

L: Paxlovid
PLP_SARS2

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

L: Molnupiravir
PLP_SARS2

Docking Scores:
-7.28
Similarity Score:
N/A
Best Match:
N/A

L: Paxlovid
PM_9VIRU

Docking Scores:
-7.20 -7.64
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
PM_9VIRU

Docking Scores:
-7.17 -7.13
Similarity Score:
N/A
Best Match:
N/A