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Physical Chemistry Chemical Physics

High quality research in physical chemistry, chemical physics and biophysical chemistry.

Paper

Calculating binding free energies of host–guest systems using the AMOEBA polarizable force field

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Corresponding authors
a
Department of Biomedical Engineering, The University of Texas at Austin, Austin, USA
E-mail: pren@mail.utexas.edu
b
Department of Biochemistry and Molecular Biophysics, Washington University in St. Louis, St. Louis, USA
c
Department of Chemistry, Washington University in Saint Louis, Saint Louis, USA
d
Department of Biomedical Engineering and Department of Biochemistry, University of Iowa, Iowa City, USA
Phys. Chem. Chem. Phys., 2016,18, 30261-30269

DOI: 10.1039/C6CP02509A
Received 14 Apr 2016, Accepted 19 May 2016
First published online 19 May 2016

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