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Docking Screens for Novel Ligands Conferring New Biology

It is now plausible to dock libraries of 10 million molecules against targets over several days or weeks. When the molecules screened are commercially available, they may be rapidly tested to find new leads. Although docking retains important liabilities (it cannot calculate affinities accurately no...

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Detalhes bibliográficos
Publicado no:J Med Chem
Main Authors: Irwin, John J., Shoichet, Brian K.
Formato: Artigo
Idioma:Inglês
Publicado em: 2016
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4865415/
https://ncbi.nlm.nih.gov/pubmed/26913380
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jmedchem.5b02008
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