DUDE Family: Difference between revisions
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* [[DUD]] | Property-matched decoys are useful for benchmarking docking calculations. There are three iterations of our DUDE-family benchmarks in use. | ||
* [[DUDE]] | |||
* [ | * [[DUD]] - published in 2006, Huang, Shoichet and Irwin, J. Med. Chem., 2006, 49(23), 6789-6801. doi 10.1021/jm0608356. | ||
* [[DUDE]] - published in 2012, Mysinger MM, Carchia M, Irwin JJ, Shoichet BK J. Med. Chem., 2012, Jul 5. doi 10.1021/jm300687e. | |||
* [https://dudez.docking.org/ DUDEZ] - published in 2021, Stein RM, Yang Y, Balius TE, O'Meara MJ, Lyu JK, Young J, Tang K, Shoichet BK and Irwin JJ, J Chem Inf Model, 2021, 61,, 2, 699-714. pubs.acs.org/doi/10.1021/acs.jcim.0c00598 | |||
[[Category:Organization]] | [[Category:Organization]] | ||
Latest revision as of 20:36, 23 May 2024
Property-matched decoys are useful for benchmarking docking calculations. There are three iterations of our DUDE-family benchmarks in use.
- DUD - published in 2006, Huang, Shoichet and Irwin, J. Med. Chem., 2006, 49(23), 6789-6801. doi 10.1021/jm0608356.
- DUDE - published in 2012, Mysinger MM, Carchia M, Irwin JJ, Shoichet BK J. Med. Chem., 2012, Jul 5. doi 10.1021/jm300687e.
- DUDEZ - published in 2021, Stein RM, Yang Y, Balius TE, O'Meara MJ, Lyu JK, Young J, Tang K, Shoichet BK and Irwin JJ, J Chem Inf Model, 2021, 61,, 2, 699-714. pubs.acs.org/doi/10.1021/acs.jcim.0c00598