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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...

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Detalhes bibliográficos
Publicado no:J Chem Inf Model
Main Authors: Ebejer, Jean-Paul, Finn, Paul W., Wong, Wing Ki, Deane, Charlotte M., Morris, Garrett M.
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2019
Acesso em linha: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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