QM/MM Studies into the H2O2-Dependent Activity of Lytic Polysaccharide Monooxygenases: Evidence for the Formation of a Caged Hydroxyl Radical Intermediate

  • Binju Wang
  • , Esther M. Johnston
  • , Pengfei Li
  • , Sason Shaik
  • , Gideon J. Davies
  • , Paul H. Walton
  • , Carme Rovira

Research output: Contribution to journalArticlepeer-review

Original languageEnglish
Pages (from-to)1346-1351
Number of pages6
JournalACS Catalysis
Volume8
Issue number2
DOIs
StatePublished - Feb 2 2018
Externally publishedYes

ASJC Scopus Subject Areas

  • Catalysis
  • General Chemistry

Keywords

  • cluster-continuum
  • HO activation
  • HO radical
  • hydrolysis
  • LPMO
  • QM/MM calculations

Cite this