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The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure.

Hans-Joachim Böhm
Published in: J. Comput. Aided Mol. Des. (1994)
Keyphrases
  • scoring function
  • virtual screening
  • three dimensional
  • structure learning
  • drug design
  • high throughput
  • drug discovery
  • similarity searching
  • least squares
  • protein sequences
  • amino acids
  • scoring functions