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Structural and Energetic Analyses of the Effects of the K103N Mutation of HIV-1 Reverse Transcriptase on Efavirenz Analogues

✍ Scribed by Udier-Blagović, Marina; Tirado-Rives, Julian; Jorgensen, William L.

Book ID
125892914
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
156 KB
Volume
47
Category
Article
ISSN
0022-2623

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✍ Pensri Srivab; Supa Hannongbua 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 697 KB

## Abstract A three‐layered ONIOM model was used to study the interactions between efavirenz and the binding sites of HIV‐1 reverse transcriptase (RT): wild‐type and double mutant K103N/Y181C enzyme forms. Binding energies were determined and compared to describe the loss of activity of efavirenz w