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Molecular Dynamics Pinpoint the Global Fluorine Effect in Balanoid Binding to PKCε and PKA.

Ari HardiantoFei LiuShoba Ranganathan
Published in: J. Chem. Inf. Model. (2018)
Keyphrases
  • molecular dynamics
  • high performance computing
  • scientific data
  • information systems
  • databases
  • data warehouse
  • fault tolerance
  • finite element
  • computing systems
  • protein folding
  • van der waals