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Rational Design Based on Bioactive Conformation Analysis of Pyrimidinylbenzoates as Acetohydroxyacid Synthase Inhibitors by Integrating Molecular Docking, CoMFA, CoMSIA, and DFT Calculations

Yan-Zhen He, Yuan-xiang Li, Xiao-Lei Zhu, Zhen Xi, Congwei Niu, Jian Wan, Li Zhang, Guangfu Yang. Rational Design Based on Bioactive Conformation Analysis of Pyrimidinylbenzoates as Acetohydroxyacid Synthase Inhibitors by Integrating Molecular Docking, CoMFA, CoMSIA, and DFT Calculations. Journal of Chemical Information and Computer Sciences, 47(6):2335-2344, 2007. [doi]

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