Development of a general quantum-chemical descriptor for steric effects: Density functional theory based QSAR study of herbicidal sulfonylurea analogues. - Zhen Xi; Zhihong Yu; Congwei Niu; Shurong Ban; Guangfu Yang (J. Comput. Chem., 2006)

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 004; Li Zhang; Guangfu Yang (J. Chem. Inf. Model., 2007)