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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
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scoring function
virtual screening
three dimensional
structure learning
drug design
high throughput
drug discovery
similarity searching
least squares
protein sequences
amino acids
scoring functions