I want to identify more interactive ligands of specified protein using
so I used drug(chemical molecules) database (e.g. Drugbank, ZINC) when I
and then I got 5 favorable ligands. these ligands scored binding affinity
about (-18 ~ -21 kcal/mol).
I want to validate that these ligands can interact with protein by
Before this biological assay, Do i need some procedures for validation?
for example, Check non-specific/specific interaction using other proteins
for Decoy set?
As i heard, If these ligands will score good binding affinity as much as
binding affinities with other proteins, this result (getting lower binding
energy about specific protein) is not meaningful to biological validation.