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Intercalative Conformations of the 14R (+)- and 14S (–)-trans-anti-DB[a,l]P-N(6)-dA Adducts: Molecular Modeling and MD Simulations
Among the polycyclic aromatic hydrocarbon class of chemical carcinogens, dibenzo[a,l]pyrene (DB[a,l]P) is the most potent tumorigen that has been identified to date. Structurally, it is bulky with six aromatic rings and it contains the non-planar fjord-region. The conformational properties of DB[a,l...
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| Main Authors: | , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2011
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3079767/ https://ncbi.nlm.nih.gov/pubmed/21361377 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/tx1004002 |
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