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Virtual screening using a conformationally flexible target protein: models for ligand binding to p38α MAPK.

Natalie B. VinhJamie S. SimpsonPeter J. ScammellsDavid K. Chalmers
Published in: J. Comput. Aided Mol. Des. (2012)
Keyphrases
  • virtual screening
  • drug discovery
  • chemical structures
  • similarity searching
  • high throughput
  • probabilistic model
  • data mining
  • complex systems
  • binding sites
  • metric space
  • scoring function