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Investigation of non-hydroxamate scaffolds against HDAC6 inhibition: A pharmacophore modeling, molecular docking, and molecular dynamics simulation approach.

Amir ZebChanin ParkMinky SonShailima RampoguSyed Ibrar AlamSeok Ju ParkKeun Woo Lee
Published in: J. Bioinform. Comput. Biol. (2018)
Keyphrases
  • molecular dynamics
  • molecular dynamics simulations
  • high performance computing
  • scientific data
  • protein folding
  • fluid flow
  • drug discovery
  • databases