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Rationalising pKa shifts in Bacillus circulans xylanase with computational studies

Kela Xiaoa and   Haibo Yu*ab  
Corresponding authors
School of Chemistry, University of Wollongong, Australia
Illawarra Health and Medical Research Institute, Wollongong, Australia
Phys. Chem. Chem. Phys., 2016,18, 30305-30312

DOI: 10.1039/C6CP02526A
Received 15 Apr 2016, Accepted 27 Jul 2016
First published online 27 Jul 2016

This article is part of themed collection: Insights from advanced methods in molecular dynamics
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