详情

Title:a database of useful decoys
Website: http://dude.docking.org/
Sort: Pharmaceutical informatics
Description: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 active compounds and their affinities against 102 targets, an average of 224 ligands per target 50 decoys for each active having similar physico-chemical properties but dissimilar 2-D topology.