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  • ContentsContents
  • Article InfoArticle Info
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  • Article title
  • Abstract
  • Keywords
  • Introduction
  • Materials and methods
    • Materials
    • Accession of target protein, TFG compounds and decoys
    • Benchmarking molecular docking
    • Molecular docking validation by individual and comparative scoring
    • Density functional theory calculations
    • Molecular dynamics simulations
  • Results
    • Active site prediction
    • Benchmarking molecular docking
    • Density functional theory calculations
    • Molecular dynamic stability studies
  • Discussion
  • Conclusions
  • Acknowledgments
  • References
  • Supplementary material
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