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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...
Guardat en:
| Publicat a: | J Chem Inf Model |
|---|---|
| Autors principals: | , , , , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
2016
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| 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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