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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 HeYuan-Xiang LiXiao-Lei ZhuZhen XiCongwei NiuJian WanLi ZhangGuangfu Yang
Published in: J. Chem. Inf. Model. (2007)
Keyphrases
  • three dimensional
  • data sets
  • case study
  • data analysis
  • statistical analysis
  • computer aided
  • detailed design
  • database
  • decision making
  • building blocks
  • design process
  • design methodology