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Ab initio fragment molecular orbital (FMO) method applied to analysis of the ligand-protein interaction in a pheromone-binding protein.

Tadashi NemotoDmitri G. FedorovMasami UebayasiKenji KanazawaKazuo KitauraYuto Komeiji
Published in: Comput. Biol. Chem. (2005)
Keyphrases
  • high accuracy
  • high precision
  • machine learning
  • protein structure prediction
  • mutual information
  • network model
  • drug discovery