Catalytic itinerary in 1,3-1,4-beta-glucanase unraveled by QM/MM metadynamics. Charge is not yet fully developed at the oxocarbenium ion-like transition state

Xevi Biarnés, Albert Ardèvol, Javier Iglesias-Fernández, Antoni Planas, Carme Rovira

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Biochemistry, Genetics and Molecular Biology