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Beatriz Piniello

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Review Open access Oct 2026

New mechanistic frontiers in carbohydrate-active enzymes revealed by QM/MM simulations.

Carbohydrate-active enzymes (CAZymes) catalyze reactions central to glycan degradation, biosynthesis, and remodeling. Although their mechanisms have traditionally been described using a limited set of canonical models, recent studies are revealing a broader and more dynamic mechanistic landscape. We discuss how QM/MM-b...

Òscar Vidal-Gironès, José Pablo Rivas-Fernández, Marina Corbella et al. · 0 citations

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