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Virtual Screening with AutoDock Vina and the Common Pharmacophore Engine of a low diversity library of fragments and hits against the three allosteric sites of HIV integrase: participation in the SAMPL4 protein-ligand binding challenge
To rigorously assess the tools and protocols that can be used to understand and predict macromolecular recognition, and to gain more structural insight into three newly-discovered allosteric binding sites on a critical drug target involved in the treatment of HIV infections, the Olson and Levy labs...
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| Main Authors: | , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
2014
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| Assuntos: | |
| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4053500/ https://ncbi.nlm.nih.gov/pubmed/24493410 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-014-9709-3 |
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