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From Docking False-Positive to Active Anti-HIV Agent

Virtual screening of the Maybridge library of ca. 70,000 compounds was performed using a similarity filter, docking, and MM-GB/SA post-processing to seek potential non-nucleoside inhibitors of HIV-1 reverse transcriptase (NNRTIs). Though known NNRTIs were retrieved well, purchase and assaying of rep...

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Dettagli Bibliografici
Autori principali: Barreiro, Gabriela, Kim, Joseph T., Guimarães, Cristiano R. W., Bailey, Christopher M., Domaoal, Robert A., Wang, Ligong, Anderson, Karen S., Jorgensen, William L.
Natura: Artigo
Lingua:Inglês
Pubblicazione: 2007
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Accesso online:https://ncbi.nlm.nih.gov/pmc/articles/PMC2575345/
https://ncbi.nlm.nih.gov/pubmed/17918923
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jm070683u
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