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In silico design novel (5-imidazol-2-yl-4-phenylpyrimidin-2-yl)[2-(2-pyridylamino)ethyl]amine derivatives as inhibitors for glycogen synthase kinase 3 based on 3D-QSAR, molecular docking and molecular dynamics simulation.

Qingxiu HeChu HanGuangping LiHaiqiong GuoYuxuan WangYong HuZhihua LinYuanqiang Wang
Published in: Comput. Biol. Chem. (2020)
Keyphrases
  • molecular dynamics
  • molecular dynamics simulations
  • high performance computing
  • scientific data
  • protein folding
  • biological data
  • fluid flow