mini project 083023_YZ#3 #536 Output Download CSV

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  The docking scores are in the AutoDock Vina metric.
L: Ritonavir
NA_A-H3N2

Docking Scores:
-6.87 -6.79
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
NA_A-H3N2

Docking Scores:
-6.97 -7.40
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
NA_A-H3N2

Docking Scores:
-6.59 -7.31
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
NA_A-H3N8

Docking Scores:
-7.81 -8.99 -7.81
Similarity Score:
31.16%
Best Match:
CHEMBL4285029

L: Nirmatrelvir
NA_A-H3N8

Docking Scores:
-8.53 -8.51 -8.05
Similarity Score:
29.71%
Best Match:
CHEMBL674

L: Molnupiravir
NA_A-H3N8

Docking Scores:
-7.73 -7.75 -7.38
Similarity Score:
22.31%
Best Match:
CHEMBL222813

L: Ritonavir
NA_A-H5N1

Docking Scores:
-8.99
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
NA_A-H5N1

Docking Scores:
-7.47
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
NA_A-H5N1

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

L: Ritonavir
NA_A-H7N9

Docking Scores:
-7.54 -7.70 -7.06
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
NA_A-H7N9

Docking Scores:
-7.93 -7.45 -8.29
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
NA_A-H7N9

Docking Scores:
-7.14 -7.24 -7.34
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
NA_INFB

Docking Scores:
-6.73 -6.75
Similarity Score:
36.55%
Best Match:
CHEMBL373336

L: Nirmatrelvir
NA_INFB

Docking Scores:
-7.27 -7.98
Similarity Score:
55.10%
Best Match:
CHEMBL370047

L: Molnupiravir
NA_INFB

Docking Scores:
-7.79 -7.76
Similarity Score:
28.81%
Best Match:
CHEMBL183817

L: Ritonavir
NP_9ADNV

Docking Scores:
-5.11 -8.50
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
NP_9ADNV

Docking Scores:
-5.14 -7.09
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
NP_9ADNV

Docking Scores:
-5.19 -7.30
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
NP_A-H1N1

Docking Scores:
-5.78 -7.31 -6.44
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
NP_A-H1N1

Docking Scores:
-6.47 -6.10 -6.35
Similarity Score:
N/A
Best Match:
N/A