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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Hlavní autoři: Perryman, Alexander L., Santiago, Daniel N., Forli, Stefano, Martins, Diogo Santos, Olson, Arthur J.
Médium: Artigo
Jazyk:Inglês
Vydáno: 2014
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Article
On-line přístup: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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