mini project 083023_YZ#3 #536 Output Download CSV

 
  The docking scores are in the AutoDock Vina metric.

L: Ritonavir
E1_HCVJ1

Docking Scores:
-4.30
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
E1_HCVJ1

Docking Scores:
-4.87
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
E1_HCVJ1

Docking Scores:
-4.64
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
E2_9HEPC

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

L: Nirmatrelvir
E2_9HEPC

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

L: Molnupiravir
E2_9HEPC

Docking Scores:
-8.23
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
E2_HCV77

Docking Scores:
-6.19
Similarity Score:
34.04%
Best Match:
CHEMBL3645728

L: Nirmatrelvir
E2_HCV77

Docking Scores:
-6.10
Similarity Score:
60.67%
Best Match:
CHEMBL296588

L: Molnupiravir
E2_HCV77

Docking Scores:
-6.10
Similarity Score:
41.77%
Best Match:
CHEMBL3696815

L: Ritonavir
ENV_9FLAV

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

L: Nirmatrelvir
ENV_9FLAV

Docking Scores:
-4.91
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
ENV_9FLAV

Docking Scores:
-5.47
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
ENV_DEN1B

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

L: Nirmatrelvir
ENV_DEN1B

Docking Scores:
-5.64
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
ENV_DEN1B

Docking Scores:
-4.79
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
ENV_DEN2P

Docking Scores:
-6.58
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
ENV_DEN2P

Docking Scores:
-6.76
Similarity Score:
N/A
Best Match:
N/A

L: Molnupiravir
ENV_DEN2P

Docking Scores:
-6.51
Similarity Score:
N/A
Best Match:
N/A

L: Ritonavir
ENV_DEN3P

Docking Scores:
-5.90
Similarity Score:
N/A
Best Match:
N/A

L: Nirmatrelvir
ENV_DEN3P

Docking Scores:
-5.42
Similarity Score:
N/A
Best Match:
N/A