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InterLig: improved ligand-based virtual screening using topologically independent structural alignments.

Claudio MirabelloBjörn Wallner
Published in: Bioinform. (2020)
Keyphrases
  • virtual screening
  • drug discovery
  • chemical structures
  • similarity searching
  • high throughput
  • binding sites
  • scoring function
  • knn
  • multi dimensional
  • metric space
  • optimal assignment