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An hybrid approach to accelerate a molecular docking application for virtual screening in heterogeneous nodes: POSTER.

Emanuele VitaliDavide GadioliAndrea BeccariCarlo CavazzoniCristina SilvanoGianluca Palermo
Published in: CF (2019)
Keyphrases
  • virtual screening
  • drug discovery
  • scoring function
  • chemical structures
  • data analysis
  • similarity search
  • network structure
  • similarity searching
  • optimal assignment