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Eastern extension of azoles as non-nucleoside inhibitors of HIV-1 reverse transcriptase; cyano group alternatives

Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase is being pursued with the assistance of free energy perturbation (FEP) calculations to predict relative free energies of binding. Extension of azole-containing inhibitors into an ‘eastern’ channel between Phe227 and Pro236 has led to...

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Bibliografische gegevens
Hoofdauteurs: Leung, Cheryl S., Zeevaart, Jacob G., Domaoal, Robert A., Bollini, Mariela, Thakur, Vinay V., Spasov, Krasimir A., Anderson, Karen S., Jorgensen, William L.
Formaat: Artigo
Taal:Inglês
Gepubliceerd in: 2010
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Online toegang:https://ncbi.nlm.nih.gov/pmc/articles/PMC2880392/
https://ncbi.nlm.nih.gov/pubmed/20304641
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bmcl.2010.03.006
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