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An integrated approach towards the development of novel antifungal agents containing thiadiazole: synthesis and a combined similarity search, homology modelling, molecular dynamics and molecular docking study.

Mustafa ErAbdulati Miftah AbounakhlaHakan TahtaciAli Hasin BawahSüleyman Selim ÇınaroğluAbdurrahman OnaranAbdulilah Ece
Published in: Chemistry Central journal (2018)
The overall results presented here might be a good starting point for the identification of novel and more active compounds as antifungal agents.
Keyphrases
  • molecular dynamics
  • molecular docking
  • candida albicans
  • density functional theory
  • molecular dynamics simulations