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Cellulose-xylan complexes used for molecular dynamics simulations. A, Conifer xylan model. B, Cellulose microfibril with one and two conifer xylans docked onto the (110) face. Only the dark-gray part of the cellulose was considered in the simulations to save computational cost. Highlighted in green are the glucan chains that were replicated and translated to the cellulose surface to build the xylan chains.
