How to sort and rank compounds docked with AutoDock Vina when the result is presented as only single decimal number?
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3.0 years ago

Hello,

I have docked 1000 compounds using

vina --receptor rec_grids.pdbqt --ligand xtal_lig.pdbqt --configconfig.txt --log log.txt --out output.txt

however my resulting score is presented only in single decimal number. So when I rank them, I get around 20-30 compound with the same score (for instance -7.7). How do I know among these 20-30 compounds, which one of them performs better than the other when they all have same score represented as one decimal number (-7.7)?

Thanks

Docking autodockVina VS VirtualScreening • 623 views
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