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Theoretical Evaluation of Oleocanthal Reactive Centers.

Mohammad Hossein AsgarshamsiMehrdad Mohammadpour DehkordiSeyed Mohamad Reza NazifiKrzysztof Kazimierz Zborowski
Published in: Current drug metabolism (2024)
The results of our research support the usefulness of theoretical calculations in predicting metabolic pathways.
Keyphrases
  • density functional theory
  • molecular dynamics
  • molecular dynamics simulations
  • monte carlo