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Paper

Computational mutagenesis reveals the role of active-site tyrosine in stabilising a boat conformation for the substrate: QM/MM molecular dynamics studies of wild-type and mutant xylanases

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a
Department of Chemistry, University of Bath, Bath, UK
E-mail: i.h.williams@bath.ac.uk;
Fax: 44 1225 386231 ;
Tel: 44 1225 386625
b
Department of Pharmaceutical Organic Chemistry, Faculty of Pharmacy, Zagazig University, Zagazig, Egypt
Org. Biomol. Chem., 2009,7, 460-468

DOI: 10.1039/B814695K
Received 22 Aug 2008, Accepted 24 Oct 2008
First published online 05 Dec 2008
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