I have docked 17 antiviral drugs using UCSF Chimera AutoDock Vina. I need to select the best 3. How do I do that?

26 April 2024 1 5K Report

I need to select 3 best results from the list of the 17 antiviral drugs. How do I select that?

That depends on many factors like higher negative binding energies, binding pose and site, ADMET parameters of the compounds (Lipinski rule) etc. Based on these criteria you can choose your best compounds..

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