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Elucidation of partial activation of cannabinoid receptor type 2 and identification of potential partial agonists: Molecular dynamics simulation and structure-based virtual screening.

Abdullahi Ibrahim UbaHarika AluwalaHaiguang LiuChun Wu
Published in: Comput. Biol. Chem. (2022)
Keyphrases
  • molecular dynamics
  • molecular dynamics simulations
  • drug discovery
  • high performance computing
  • chemical structures
  • machine learning
  • parallel computing
  • protein folding
  • virtual screening