mini project 083023_YZ#3 #536 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Nirmatrelvir
NS5_9FLAV

Docking Scores:
-8.58
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
NS5_9FLAV

Docking Scores:
-8.00
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
NS5_DEN3S

Docking Scores:
-7.55 -7.91
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
NS5_DEN3S

Docking Scores:
-7.07 -8.26
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
NS5_DEN3S

Docking Scores:
-7.11 -7.87
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
NS5_ZIKV

Docking Scores:
-8.51 -5.46
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
NS5_ZIKV

Docking Scores:
-8.03 -5.88
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
NS5_ZIKV

Docking Scores:
-7.81 -5.25
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
NS5_ZIKVF

Docking Scores:
-8.88
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
NS5_ZIKVF

Docking Scores:
-8.68
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
NS5_ZIKVF

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

L: Ritonavir
NS6_9CALI

Docking Scores:
-4.80 -5.68 -6.26
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
NS6_9CALI

Docking Scores:
-5.19 -5.31 -6.29
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
NS6_9CALI

Docking Scores:
-4.75 -5.70 -5.87
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
NSP15_SARS

Docking Scores:
-6.44
Similarity Score:
41.85%
Best Match:
CHEMBL2441745

L: Nirmatrelvir
NSP15_SARS

Docking Scores:
-6.37
Similarity Score:
42.31%
Best Match:
CHEMBL2441741

L: Molnupiravir
NSP15_SARS

Docking Scores:
-6.07
Similarity Score:
18.10%
Best Match:
CHEMBL2441745

L: Ritonavir
NSP15_SARS2

Docking Scores:
-7.02
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
NSP15_SARS2

Docking Scores:
-6.49
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
NSP15_SARS2

Docking Scores:
-6.83
Similarity Score:
N/A
Best Match:
N/A