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. Author manuscript; available in PMC: 2022 Mar 19.
Published in final edited form as: ACS Catal. 2021 Mar 1;11(6):3319–3334. doi: 10.1021/acscatal.0c04886

Scheme 2.

Scheme 2.

The possible pathways for EanB catalysis proposed by QM/MM metadynamics simulation in our previous study.20 Subscript “S” represents intermediates of the C-S bond formation step in EanB catalysis. Adapted with permission from reference 20. Copyright 2020, American Chemical Society.