MD simulations and QM/MM calculations reveal the key mechanistic elements which are responsible for the efficient C-H amination reaction performed by a bioengineered P450 enzyme

  • Surajit Kalita
  • , Sason Shaik*
  • , Kshatresh Dutta Dubey*
    • *Corresponding author for this work

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

38 Scopus citations

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Chemistry

Biochemistry, Genetics and Molecular Biology