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Development of a protein-ligand extended connectivity (PLEC) fingerprint and its application for binding affinity predictions.

Maciej WójcikowskiMichal KukielkaMarta M. Stepniewska-DziubinskaPawel Siedlecki
Published in: Bioinform. (2019)
Keyphrases
  • software engineering
  • drug design
  • pairwise
  • knowledge based systems
  • fine grained
  • protein structure
  • virtual screening