Investigation of binding features: Effec
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Chunzhi Ai; Yan Li; Yonghua Wang; Wei Li; Peipei Dong; Guangbo Ge; Ling Yang
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Article
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2010
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John Wiley and Sons
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English
⚖ 441 KB
👁 1 views
## Abstract A computational investigation has been carried out on CYP2A6 and its naphthalene inhibitors to explore the crucial molecular features contributing to binding specificity. The molecular bioactive orientations were obtained by docking (FlexX) these compounds into the active site of the en