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