Research Article
Investigating Potential Inhibitory Effect of Uncaria tomentosa (Cat’s Claw) against the Main Protease 3CLpro of SARS-CoV-2 by Molecular Modeling
Table 2
Ligand-protease ΔGbinding in kcal/mol.
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The average obtained from 250 frames for each MD trajectory (one per nanosecond) using the MM-GBSA method in AmberTools18. The following parameters were used: igb = 2, saltcon = 0.100. |