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Emergence of function in p450-proteins: A combined quantum mechanical/molecular mechanical and molecular dynamics study of the reactive species in the H2O2-dependent cytochrome P450SPα and its regio- and enantioselective hydroxylation of fatty acids

  • Rajeev Ramanan
  • , Kshatresh Dutta Dubey
  • , Binju Wang
  • , Debasish Mandal
  • , Sason Shaik*
  • *Corresponding author for this work

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