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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...
Guardat en:
| Publicat a: | J Chem Inf Model |
|---|---|
| Autors principals: | , , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
American Chemical
Society
2019
|
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7007185/ https://ncbi.nlm.nih.gov/pubmed/31117509 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.8b00779 |
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