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Binding Residence Time through Scaled Molecular Dynamics: A Prospective Application to hDAAO Inhibitors.

Mattia BernettiElena RosiniLuca MollicaMatteo MasettiLoredano PollegioniMaurizio RecanatiniAndrea Cavalli
Published in: J. Chem. Inf. Model. (2018)
Keyphrases
  • molecular dynamics
  • computer vision
  • computer systems
  • databases
  • management system