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This dataset derived results are published in:

Manuscript title: On how the binding cavity of AsqJ dioxygenase controls the desaturation reaction regioselectivity: a QM/MM study

Journal: J. Biol. Inorg. Chem.

DOI: 10.1007/s00775-018-1575-3

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    • ROOT
      • AsqJ_cluster_models
      • nonenzymatic_rearrangement
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