Quantum mechanical/molecular mechanical study on the mechanisms of Compound I formation in the catalytic cycle of chloroperoxidase: An overview on heme enzymes

Hui Chen, Hajime Hirao, Etienne Derat, Ilme Schlichting, Sason Shaik*

*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

60 Scopus citations

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Keyphrases

Pharmacology, Toxicology and Pharmaceutical Science

Biochemistry, Genetics and Molecular Biology

Immunology and Microbiology

Chemistry