Energetic Effects for Observed and Unobserved HIV-1 Reverse Transcriptase Mutations of Residues L100, V106 and Y181 in the Presence of Nevirapine and Efavirenz

The effect of mutations on amino acid residues L100, V106, and Y181 for unbound HIV-1 reverse transcriptase (RT) and RT bound to nevirapine and efavirenz was investigated using Monte Carlo/Free Energy Perturbation calculations. Using both native and bound crystal structures of RT, mutation of the am...

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Main Authors: Smith, Marilyn B. Kroeger, Rader, Lenea H., Franklin, Amanda M., Taylor, Emily V., Smith, Katie D., Smith, Richard H., Tirado-Rives, Julian, Jorgensen, William L.
Formato: Artigo
Idioma:Inglês
Publicado em: 2007
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Article
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2901594/
https://ncbi.nlm.nih.gov/pubmed/18166457
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.bmcl.2007.12.033
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