Rational design based on bioactive conformation analysis of pyrimidinylbenzoates as acetohydroxyacid synthase inhibitors by integrating molecular docking, CoMFA, CoMSIA, and DFT calculations.
He YZ, Li YX, Zhu XL, Xi Z, Niu C, Wan J, Zhang L, Yang GF, J Chem Inf Model, 2007 Nov-Dec - link

Understanding the structure-activity and structure-selectivity correlation of cyclic guanine derivatives as phosphodiesterase-5 inhibitors by molecular docking, CoMFA and CoMSIA analyses.
Yang GF, Lu HT, Xiong Y, Zhan CG, Bioorg Med Chem, 2006 Mar 1 - link