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2026-02-17 06:23:29
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DUD - A Directory of Useful Decoys DUD A Directory of Useful Decoys Welcome to DUD, a directory of useful decoys for benchmarking virtual screening. DUD is designed to help test docking algorithms by providing challenging decoys. It contains: A total of 2,950 active compounds against a total of 40 targets For each active, 36 "decoys" with similar physical properties (e.g. molecular weight, calculated LogP) but dissimilar topology. DUD is provided by the Irwin and Shoichet labs in the Department of Pharmaceutical Chemistry at the University of California, San Francisco (UCSF) . To cite DUD, please reference Huang, Shoichet and Irwin, J. Med. Chem. , 2006, 49(23), 6789-6801. doi 10.1021/jm0608356 . There is a DUD wiki page where you can discuss DUD and an errata page where problems are reported and explained. We aim to fix all problems in the next release. We thank NIGMS for financial support (GM71896). ...
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