DUD-E is an enhanced and rebuilt version of DUD, a directory of useful decoys. DUD-E is designed to help benchmark molecular docking programs by providing challenging decoys. It contains: 22,886 activ
A dataset of 19 known PPARγ partial agonists, 135 known PPARγ full agonists and 3122 decoys extracted from the DUD database were used. The values represent the number of compounds from each set that s
Ligand-based methods play a crucial role in virtual screening when the 3D structure of the target is not available. This study discusses the results of a validation study of the CSD field-based ligand
