How structural dynamics influence the substrate oxidation energetics in lytic polysaccharide monooxygenases
Conformational sampling combined with QM/MM reveals how the enzyme–substrate structure affects LPMO H-abstraction barriers, clarifying prior discrepancies.
Authors
- Ulf Ryde (ORCID: https://orcid.org/0000-0001-7653-8489)
- Marlisa M. Hagemann (ORCID: https://orcid.org/0000-0002-4044-2124)
- Erik D. Hedegård (ORCID: https://orcid.org/0000-0002-3868-1206)
Institutions
- University of Southern Denmark (DK)
- Lund University (SE)
Publication Details
- Journal
- Inorganic Chemistry Frontiers
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5qi01590a
- Primary Topic
- Biofuel production and bioconversion
- Type
- article
- Field-Weighted Citation Impact
- 0.00