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Fragment-based Analysis of Ligand Dockings Improves Classification of Actives

We describe ADChemCast, a method for using results from virtual screening to create a richer representation of a target binding site, which may be used to improve ranking of compounds and characterize the determinants of ligand-receptor specificity. ADChemCast clusters docked conformations of ligand...

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Publicat a:J Chem Inf Model
Autors principals: Belew, Richard K., Forli, Stefano, Goodsell, David, O’Donnell, T. J., Olson, Arthur
Format: Artigo
Idioma:Inglês
Publicat: 2016
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC5023760/
https://ncbi.nlm.nih.gov/pubmed/27384036
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.6b00248
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