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Simulation study of ion pairing in concentrated aqueous salt solutions with a polarizable force field

Yun Luo,ab   Wei Jiang,b   Haibo Yu,a   Alexander D. MacKerellc and   Benoît Roux*ab  
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a
Department of Biochemistry and Molecular Biology, The University of Chicago, Gordon Center for Integrative Science, 929 East 57th Street, Chicago, USA
b
Argonne National Laboratory, Argonne, USA
c
Department of Pharmaceutical Sciences, School of Pharmacy University of Maryland, Baltimore, USA
Faraday Discuss., 2013,160, 135-149

DOI: 10.1039/C2FD20068F
Received 10 Apr 2012, Accepted 14 May 2012
First published online 15 May 2012

This article is part of themed collection: Ion Specific Hofmeister Effects
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