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Molecular structures, chemical descriptors, and pancreatic lipase (1LPB) inhibition by natural products: a DFT investigation and molecular docking prediction.

Hamza AllalHacene NemdiliMohamed Amine ZerizerBachir Zouchoune
Published in: Structural chemistry (2023)
The online version contains supplementary material available at 10.1007/s11224-023-02176-2.
Keyphrases
  • molecular docking
  • molecular dynamics simulations
  • social media
  • psychometric properties
  • health information
  • high resolution
  • healthcare
  • density functional theory