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Toward Focusing Conformational Ensembles on Bioactive Conformations: A Molecular Mechanics/Quantum Mechanics Study.

Hannah H. Avgy-DavidHanoch Senderowitz
Published in: J. Chem. Inf. Model. (2015)
Keyphrases
  • quantum mechanics
  • artificial intelligence
  • objective function
  • low energy
  • genetic programming