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Identification of novel discoidin domain receptor 1 (DDR1) inhibitors using E-pharmacophore modeling, structure-based virtual screening, molecular dynamics simulation and MM-GBSA approaches.

Hossam NadaKyeong LeeLizaveta GotinaAe Nim PaeAhmed Elkamhawy
Published in: Comput. Biol. Medicine (2022)
Keyphrases
  • molecular dynamics
  • drug discovery
  • virtual screening
  • scientific data
  • molecular dynamics simulations
  • high performance computing
  • database
  • data mining
  • database systems
  • network structure
  • binding sites