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Inhibitor discovery for the E. coli meningitis virulence factor IbeA from homology modeling and virtual screening.

Xiaoqian XuLi ZhangYing CaiDongxin LiuZhengwen ShangQiuhong RenQiong LiWeidong ZhaoYuhua Chen
Published in: J. Comput. Aided Mol. Des. (2020)
Keyphrases
  • virtual screening
  • drug discovery
  • knowledge discovery
  • discovery process
  • objective function
  • nsga ii
  • chemical structures