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  • Prasad Phatak, Jordan Venderley, John B. DeBrota, Junjie Li, Srinivasan S Iyengar
  • Chemistry, Medicine
  • The journal of physical chemistry. B
  • 30 July 2015
  • Using ab initio molecular dynamics (AIMD) simulations that facilitate the treatment of rare events, we probe the active site participation in the rate-determining hydrogen transfer step in theContinue Reading