Ab initio dynamics of the cytochrome P450 hydroxylation reaction Article

Elenewski, Justin E, Hackett, John C. (2015). Ab initio dynamics of the cytochrome P450 hydroxylation reaction . JOURNAL OF CHEMICAL PHYSICS, 142(6), 10.1063/1.4907733

Open Access

keywords

  • 14-ALPHA-DEMETHYLASE CATALYSIS
  • CAR-PARRINELLO EQUATIONS
  • CHLOROPEROXIDASE COMPOUND-I
  • Chemistry
  • Chemistry, Physical
  • DENSITY-FUNCTIONAL THEORY
  • H BOND ACTIVATION
  • ISOFORM SELECTIVITY
  • MOLECULAR-DYNAMICS
  • P450-CATALYZED HYDROXYLATION
  • Physical Sciences
  • Physics
  • Physics, Atomic, Molecular & Chemical
  • SIDE PRODUCTS
  • Science & Technology
  • VALPROIC ACID

Digital Object Identifier (DOI)

publisher

  • AMER INST PHYSICS

volume

  • 142

issue

  • 6