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Ligity: A Non-Superpositional, Knowledge-Based Approach to Virtual Screening
[Image: see text] We present Ligity, a hybrid ligand-structure-based, non-superpositional method for virtual screening of large databases of small molecules. Ligity uses the relative spatial distribution of pharmacophoric interaction points (PIPs) derived from the conformations of small molecules. T...
| 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/PMC7007185/ https://www.ncbi.nlm.nih.gov/pubmed/31117509 http://dx.doi.org/10.1021/acs.jcim.8b00779 |