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Computational multi-target approach to target essential enzymes of Leishmania donovani using comparative molecular dynamic simulations and MMPBSA analysis.

Debanjan SahaAnupam Nath Jha
Published in: Phytochemical analysis : PCA (2023)
Promising plant-derived compounds that might be used to combat VL were obtained through a multi-target approach.
Keyphrases
  • molecular dynamics
  • monte carlo
  • plant growth