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Chemistry - A European Journal· 2026Q1

GH172 Difructose Dianhydride I Synthase: A Two‐Stepped Journey via Glycosylation and Cyclization Using QM/MM Metadynamics

Santiago Alonso‐Gil, Bruno Di Geronimo, Toma Kashima, Akihiro Ishiwata et al.

Short summary

QM/MM metadynamics simulations reveal GH172 difructose dianhydride I synthase catalyzes inulobiose transformation via a glycosylation then cyclization mechanism, with glycosylation as the rate-limiting step.

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