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Pharmacoinformatics exploration of polyphenol oxidases leading to novel inhibitors by virtual screening and molecular dynamic simulation study.

Mubashir HassanQamar AbbasZaman AshrafAhmed A. MoustafaSung-Yum Seo
Published in: Comput. Biol. Chem. (2017)
Keyphrases
  • simulation study
  • virtual screening
  • drug discovery
  • chemical structures
  • similarity searching
  • monte carlo
  • high throughput
  • database
  • data mining
  • data analysis
  • binding sites