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Benchmarking Sets for Molecular Docking
Ligand enrichment among top-ranking hits is a key metric of molecular docking. To avoid bias, decoys should resemble ligands physically, so that enrichment is not simply a separation of gross features, yet be chemically distinct from them, so that they are unlikely to be binders. We have assembled a...
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| Hoofdauteurs: | , , |
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| Formaat: | Artigo |
| Taal: | Inglês |
| Gepubliceerd in: |
2006
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| Onderwerpen: | |
| Online toegang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3383317/ https://ncbi.nlm.nih.gov/pubmed/17154509 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jm0608356 |
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