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Tautomerism and Magnesium Chelation of HIV-1 Integrase Inhibitors: A Theoretical Study
The tautomerism and corresponding transition states of four authentic HIV-1 integrase (IN) inhibitor prototype structures, α,γ-diketo acid, α,γ-diketotriazole, dihydroxypyrimidine carboxamide, and 4-quinolone-3-carboxylic acid were investigated at the B3LYP/6-311++G(d,p) level in vacuum and in aqueo...
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| Hlavní autoři: | , |
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| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
2010
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3447627/ https://ncbi.nlm.nih.gov/pubmed/20533499 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/cmdc.201000039 |
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