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Pharmacophore modeling, molecular docking and molecular dynamics simulations toward identifying lead compounds for Chk1.

Yaping LiJiale PengYeheng ZhouPenghua LiYingying LiXingyong LiuAbu Nasar SiddiqueLi ZhangZhili Zuo
Published in: Comput. Biol. Chem. (2018)
Keyphrases
  • drug discovery
  • molecular dynamics simulations
  • molecular dynamics
  • molecular structure
  • database systems
  • experimental data
  • binding sites
  • discovery process