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MOLA: a bootable, self-configuring system for virtual screening using AutoDock4/Vina on computer clusters.

Rui M. V. AbreuHugo J. C. FroufeMaria QueirozIsabel C. F. R. Ferreira
Published in: J. Cheminformatics (2010)
Keyphrases
  • virtual screening
  • drug discovery
  • clustering algorithm
  • chemical structures
  • similarity searching
  • multi dimensional
  • index structure
  • high throughput