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Protein-specific force field derived from the fragment molecular orbital method can improve protein-ligand binding interactions.

Le ChangTakeshi IshikawaKazuo KuwataShoji Takada
Published in: J. Comput. Chem. (2013)
Keyphrases
  • protein protein
  • drug discovery
  • mutual information
  • high throughput
  • amino acids
  • virtual screening
  • segmentation method
  • protein structure
  • drug design
  • interaction networks