Blind prediction of HIV integrase binding from the SAMPL4 challenge

Here, we give an overview of the protein-ligand binding portion of the SAMPL4 challenge, which focused on predicting binding of HIV integrase inhibitors in the catalytic core domain. The challenge encompassed three components – a small “virtual screening” challenge, a binding mode prediction compone...

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Détails bibliographiques
Publié dans:J Comput Aided Mol Des
Auteurs principaux: Mobley, David L., Liu, Shuai, Lim, Nathan M., Wymer, Karisa L., Perryman, Alexander L., Forli, Stefano, Deng, Nanjie, Su, Justin, Branson, Kim, Olson, Arthur J.
Format: Artigo
Langue:Inglês
Publié: 2014
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Article
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC4331050/
https://ncbi.nlm.nih.gov/pubmed/24595873
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-014-9723-5
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