mini project 083023_YZ#3 #536 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Ritonavir
NSP1_INFB

Docking Scores:
-6.67 -5.59
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
NSP1_INFB

Docking Scores:
-6.71 -6.37
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
NSP1_INFB

Docking Scores:
-5.57 -5.26
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
NSP1_SARS

Docking Scores:
-6.32
Similarity Score:
41.85%
Best Match:
CHEMBL2441745

L: Nirmatrelvir
NSP1_SARS

Docking Scores:
-6.15
Similarity Score:
42.31%
Best Match:
CHEMBL2441741

L: Molnupiravir
NSP1_SARS

Docking Scores:
-5.87
Similarity Score:
18.10%
Best Match:
CHEMBL2441745

L: Ritonavir
NSP3_HCoV-229E

Docking Scores:
-9.13
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
NSP3_HCoV-229E

Docking Scores:
-7.71
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
NSP3_HCoV-229E

Docking Scores:
-9.71
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
NSP3_IBV

Docking Scores:
-8.42
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
NSP3_IBV

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

L: Molnupiravir
NSP3_IBV

Docking Scores:
-9.52
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
NSP3_MHV

Docking Scores:
-6.99
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
NSP3_MHV

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

L: Molnupiravir
NSP3_MHV

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

L: Ritonavir
NSP3_SARS2

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

L: Nirmatrelvir
NSP3_SARS2

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

L: Molnupiravir
NSP3_SARS2

Docking Scores:
-6.92
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
NSP9_HCoV-229E

Docking Scores:
-6.53 -6.56
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
NSP9_HCoV-229E

Docking Scores:
-6.39 -6.81
Similarity Score:
N/A
Best Match:
N/A