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Automated site-directed drug design: An assessment of the transferability of atomic residual charges (CNDO) for molecular fragments.

P.-L. ChauPhilip M. Dean
Published in: J. Comput. Aided Mol. Des. (1992)
Keyphrases
  • drug design
  • quantitative structure activity
  • protein structure prediction
  • drug discovery
  • protein protein interactions
  • fine grained
  • protein protein
  • high precision
  • protein structure