01 December 2023 0 1K Report

Dear all,

I have developed a pharmacophore hypothesis using receptor cavity since my protein has no co-crystallized ligand. I , now, aim to validate it using a set of actives and decoys. I tried to create decoys using DUD-E using two target ligands. But the file I received has 7 decoys against one target ligand and none for the other. I believe ~50 decoys are generated per target ligand. In such scenario, are there any other tools to generate decoys or is there some other way in DUD-E to generate decoys?

Thank you.

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