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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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| Main Authors: | , , , |
|---|---|
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
American Chemical
Society
2012
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| 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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