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How to Computationally Stack the Deck for Hit-to-Lead Generation: In Silico Molecular Interaction Energy Profiling for de Novo siRNA Guide Strand Surrogate Selection.

Paulette A. GreenidgeMarcel J. J. BlommersJohn P. PriestleJürg Hunziker
Published in: J. Chem. Inf. Model. (2019)
Keyphrases
  • energy minimization
  • energy consumption
  • user interaction
  • human computer interaction
  • data mining
  • selection algorithm
  • low energy
  • three dimensional
  • generation method
  • mass spectrometry