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  • ContentsContents
  • Article InfoArticle Info
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  • FigsFigs
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  • RefsRefs
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  • Article title
  • Abstract
  • Keywords
  • Introduction
  • Materials and methods
    • Ligand preparation
    • Protein preparation
    • Molecular docking
    • ADME prediction
    • MD Simulations and Post-MD MM-PBSA
  • Results
    • Phytochemical library collection
    • Molecular docking
    • ADME prediction
    • MD simulations
    • Hydrogen-bond interactions
    • Post-MD MM-PBSA
  • Discussion
  • Conclusion
  • Acknowledgments
  • Additional information
  • References
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