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Structural properties and interaction energies affecting drug design. An approach combining molecular simulations, statistics, interaction energies and neural networks.

Dimitris IoannidisGeorgios E. PapadopoulosGeorgios C. AnastassopoulosAlexandros KortsarisKonstantinos P. Anagnostopoulos
Published in: Comput. Biol. Chem. (2015)
Keyphrases
  • structural properties
  • drug design
  • neural network
  • graph cuts
  • databases
  • data analysis
  • early stage