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Table 4 Interaction between wild-type and mutant SARS-CoV-2 papain-like viral protease with ISG-15

From: Novel mutations in NSP-1 and PLPro of SARS-CoV-2 NIB-1 genome mount for effective therapeutics

Receptor

TongDock_A score

Cluster size

Binding affinity score (kcal/mol)

Dissociation constant (Kd) (M)

 Wild type

915.278

41

− 15.4

4.8E–12

 V843F

720.354

23

− 11.1

7.2E–09

 A889V

1019.921

31

− 15.4

4.7E–12

 V843F + A889V

968.296

28

− 15.5

4.2E–12