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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Detalles Bibliográficos
Autores principales: Mysinger, Michael M., Carchia, Michael, Irwin, John. J., Shoichet, Brian K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2012
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3405771/
https://www.ncbi.nlm.nih.gov/pubmed/22716043
http://dx.doi.org/10.1021/jm300687e

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3405771/
https://www.ncbi.nlm.nih.gov/pubmed/22716043
http://dx.doi.org/10.1021/jm300687e

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