Document Detail


In silico studies of crystalline cellulose and its degradation by enzymes.
MedLine Citation:
PMID:  21041934     Owner:  NLM     Status:  In-Process    
Abstract/OtherAbstract:
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.
Authors:
Giovanni Bellesia; Andrea Asztalos; Tongye Shen; Paul Langan; Antonio Redondo; S Gnanakaran
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Publication Detail:
Type:  Journal Article; Research Support, U.S. Gov't, Non-P.H.S.     Date:  2010-10-20
Journal Detail:
Title:  Acta crystallographica. Section D, Biological crystallography     Volume:  66     ISSN:  1399-0047     ISO Abbreviation:  Acta Crystallogr. D Biol. Crystallogr.     Publication Date:  2010 Nov 
Date Detail:
Created Date:  2010-11-02     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  9305878     Medline TA:  Acta Crystallogr D Biol Crystallogr     Country:  England    
Other Details:
Languages:  eng     Pagination:  1184-8     Citation Subset:  IM    
Affiliation:
T-6 and CNLS, Theoretical Division, Los Alamos National Laboratory, MS B258, Los Alamos, NM 87545, USA.
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