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Lee, Won-Gil; Frey, Kathleen M; Gallardo-Macias, Ricardo et al. (2015) Discovery and crystallography of bicyclic arylaminoazines as potent inhibitors of HIV-1 reverse transcriptase. Bioorg Med Chem Lett 25:4824-7
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Abram, Michael E; Ferris, Andrea L; Das, Kalyan et al. (2014) Mutations in HIV-1 reverse transcriptase affect the errors made in a single cycle of viral replication. J Virol 88:7589-601
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Vijayan, R S K; Arnold, Eddy; Das, Kalyan (2014) Molecular dynamics study of HIV-1 RT-DNA-nevirapine complexes explains NNRTI inhibition and resistance by connection mutations. Proteins 82:815-29
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Bauman, Joseph D; Patel, Disha; Dharia, Chhaya et al. (2013) Detecting allosteric sites of HIV-1 reverse transcriptase by X-ray crystallographic fragment screening. J Med Chem 56:2738-46
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Bollini, Mariela; Frey, Kathleen M; Cisneros, José A et al. (2013) Extension into the entrance channel of HIV-1 reverse transcriptase--crystallography and enhanced solubility. Bioorg Med Chem Lett 23:5209-12
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Chung, Suhman; Himmel, Daniel M; Jiang, Jian-Kang et al. (2011) Synthesis, activity, and structural analysis of novel ýý-hydroxytropolone inhibitors of human immunodeficiency virus reverse transcriptase-associated ribonuclease H. J Med Chem 54:4462-73
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Frenkel, Yulia Volovik; Gallicchio, Emilio; Das, Kalyan et al. (2009) Molecular dynamics study of non-nucleoside reverse transcriptase inhibitor 4-[[4-[[4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl]amino]-2-pyrimidinyl]amino]benzonitrile (TMC278/rilpivirine) aggregates: correlation between amphiphilic properties of the drug an J Med Chem 52:5896-905
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Das, Kalyan; Bandwar, Rajiv P; White, Kirsten L et al. (2009) Structural basis for the role of the K65R mutation in HIV-1 reverse transcriptase polymerization, excision antagonism, and tenofovir resistance. J Biol Chem 284:35092-100
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Dunn, Linda L; McWilliams, Mary Jane; Das, Kalyan et al. (2009) Mutations in the thumb allow human immunodeficiency virus type 1 reverse transcriptase to be cleaved by protease in virions. J Virol 83:12336-44
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Himmel, Daniel M; Maegley, Karen A; Pauly, Tom A et al. (2009) Structure of HIV-1 reverse transcriptase with the inhibitor beta-Thujaplicinol bound at the RNase H active site. Structure 17:1625-1635
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