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Ligand Strain Energy in Large Library Docking.

Shuo GuMatthew S. SmithYing YangJohn J. IrwinBrian K. Shoichet
Published in: J. Chem. Inf. Model. (2021)
Keyphrases
  • strain energy
  • high throughput
  • artificial intelligence
  • face recognition
  • multiscale
  • multiresolution
  • drug design