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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...
Autores principales: | Irwin, John J., Shoichet, Brian K., Mysinger, Michael M., Huang, Niu, Colizzi, Francesco, Wassam, Pascal, Cao, Yiqun |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2009
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2745826/ https://www.ncbi.nlm.nih.gov/pubmed/19719084 http://dx.doi.org/10.1021/jm9006966 |
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