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Characterization of Small Molecule Binding. I. Accurate Identification of Strong Inhibitors in Virtual Screening
[Image: see text] Accurately ranking docking poses remains a great challenge in computer-aided drug design. In this study, we present an integrated approach called MIEC-SVM that combines structure modeling and statistical learning to characterize protein–ligand binding based on the complex structure...
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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2013
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3584174/ https://ncbi.nlm.nih.gov/pubmed/23259763 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci300508m |
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