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Getting Docking into Shape Using Negative Image-Based Rescoring
[Image: see text] The failure of default scoring functions to ensure virtual screening enrichment is a persistent problem for the molecular docking algorithms used in structure-based drug discovery. To remedy this problem, elaborate rescoring and postprocessing schemes have been developed with a var...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical
Society
2019
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6750746/ https://www.ncbi.nlm.nih.gov/pubmed/31290660 http://dx.doi.org/10.1021/acs.jcim.9b00383 |