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A selectivity study of benzenesulfonamide derivatives on human carbonic anhydrase II/IX by 3D-QSAR, Molecular Docking and Molecular Dynamics Simulation.

Yuxuan WangHaiqiong GuoGuanghui TangQingxiu HeYuping ZhangYong HuYuanqiang WangZhihua Lin
Published in: Comput. Biol. Chem. (2019)
Keyphrases
  • molecular dynamics
  • molecular dynamics simulations
  • high performance computing
  • scientific data
  • computer vision
  • drug design