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Updated: Jun 7, 2026

Towards Biomimicking Wood: Fabricated Free-standing Films of Nanocellulose, Lignin, and a Synthetic Polycation
Published on: June 17, 2014
In silico studies of crystalline cellulose and its degradation by enzymes
Giovanni Bellesia1, Andrea Asztalos, Tongye Shen
1T-6 and CNLS, Theoretical Division, Los Alamos National Laboratory, MS B258, Los Alamos, NM 87545, USA.
Abstract:
In this report, the current state of computational studies on crystalline cellulose is reviewed. The discussion is focused on fully atomistic molecular-dynamics simulations as well as on other computational approaches which are relevant in the context of enzymatic degradation of cellulose. Finally, possible directions and necessary improvements for future computational studies in this challenging research field are summarized.
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