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Diaryltriazine inhibitors have highly potent and effective bioactivities for the wild type of HIV‐1 reverse transcription. To design new drug of antimutant HIV‐1 reverse transcriptase, the mechanism of drug resistance for four types of mutants was revealed. Molecular dynamics simulations suggest that Lys101, Leu100, Lys103, Tyr181, and Tyr188 are key residues. Different mutants of key residues may...
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