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Here Be Dragons: Docking and Screening in an Uncharted Region of Chemical Space
To compare virtual and high-throughput screening in an unbiased way, 50,000 compounds were docked into the 3-dimensional structure of dihydrofolate reductase prospectively, and the results were compared to a subsequent experimental screening of the same library. Undertaking these calculations demand...
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| Hauptverfasser: | , , |
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| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
2005
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| Schlagworte: | |
| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC1532927/ https://ncbi.nlm.nih.gov/pubmed/16170052 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1177/1087057105281047 |
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