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Identification of novel PI3Kδ inhibitors by docking, ADMET prediction and molecular dynamics simulations.

Ya-Ya LiuXiao-Yan FengWen-Qing JiaZhi JingWei-Ren XuXian-Chao Cheng
Published in: Comput. Biol. Chem. (2019)
Keyphrases
  • molecular dynamics simulations
  • hiv protease
  • human immunodeficiency virus
  • wet lab
  • molecular dynamics
  • coarse grained
  • database
  • peer to peer
  • fault tolerance