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Automated Docking Screens: A Feasibility Study

[Image: see text] Molecular docking is the most practical approach to leverage protein structure for ligand discovery, but the technique retains important liabilities that make it challenging to deploy on a large scale. We have therefore created an expert system, DOCK Blaster, to investigate the fea...

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Detalhes bibliográficos
Main Authors: Irwin, John J., Shoichet, Brian K., Mysinger, Michael M., Huang, Niu, Colizzi, Francesco, Wassam, Pascal, Cao, Yiqun
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2009
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2745826/
https://ncbi.nlm.nih.gov/pubmed/19719084
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jm9006966
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