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
PR_SARS

Docking Scores:
-6.87 -7.34 -7.32
Similarity Score:
42.31%
Best Match:
CHEMBL2441741

L: Molnupiravir
PR_SARS

Docking Scores:
-6.90 -7.30 -7.27
Similarity Score:
18.10%
Best Match:
CHEMBL2441745

L: Paxlovid
PR_SARS2

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

L: Molnupiravir
PR_SARS2

Docking Scores:
-7.31
Similarity Score:
N/A
Best Match:
N/A

L: Paxlovid
PR_TGEV

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

L: Molnupiravir
PR_TGEV

Docking Scores:
-6.40
Similarity Score:
N/A
Best Match:
N/A

L: Paxlovid
P_9CALI

Docking Scores:
-7.87
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
P_9CALI

Docking Scores:
-7.56
Similarity Score:
N/A
Best Match:
N/A

L: Paxlovid
P_NVN68

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

L: Molnupiravir
P_NVN68

Docking Scores:
-5.32
Similarity Score:
N/A
Best Match:
N/A

L: Paxlovid
RDRP_SARS2

Docking Scores:
-6.54
Similarity Score:
10.37%
Best Match:
CHEMBL4065616

L: Molnupiravir
RDRP_SARS2

Docking Scores:
-6.76
Similarity Score:
23.68%
Best Match:
CHEMBL4065616

L: Paxlovid
RT_HIV1

Docking Scores:
-8.05 -8.30 -7.19
Similarity Score:
33.58%
Best Match:
CHEMBL4225865

L: Molnupiravir
RT_HIV1

Docking Scores:
-7.85 -8.20 -7.88
Similarity Score:
23.95%
Best Match:
CHEMBL3683704

L: Paxlovid
SPIKE_HCoV-229E

Docking Scores:
-4.66
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
SPIKE_HCoV-229E

Docking Scores:
-4.73
Similarity Score:
N/A
Best Match:
N/A

L: Paxlovid
SPIKE_HCoV-NL63

Docking Scores:
-6.20
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
SPIKE_HCoV-NL63

Docking Scores:
-5.14
Similarity Score:
N/A
Best Match:
N/A

L: Paxlovid
SPIKE_HCoV-OC43

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

L: Molnupiravir
SPIKE_HCoV-OC43

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