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Carboxylic acid derivatives display potential selectivity for human histone deacetylase 6: Structure-based virtual screening, molecular docking and dynamics simulation studies.

Abdullahi Ibrahim UbaKemal Yelekçi
Published in: Comput. Biol. Chem. (2018)
Keyphrases
  • simulation study
  • virtual screening
  • drug discovery
  • chemical structures
  • similarity searching
  • monte carlo
  • binding sites
  • multimedia
  • high dimensional
  • similarity search
  • complex systems
  • high throughput
  • scoring function