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Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking

[Image: see text] A key metric to assess molecular docking remains ligand enrichment against challenging decoys. Whereas the directory of useful decoys (DUD) has been widely used, clear areas for optimization have emerged. Here we describe an improved benchmarking set that includes more diverse targ...

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Bibliografiske detaljer
Main Authors: Mysinger, Michael M., Carchia, Michael, Irwin, John. J., Shoichet, Brian K.
Format: Artigo
Sprog:Inglês
Udgivet: American Chemical Society 2012
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC3405771/
https://ncbi.nlm.nih.gov/pubmed/22716043
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jm300687e
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