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Physical Chemistry Chemical Physics

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


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

Corresponding authors
Department of Biomedical Engineering, The University of Texas at Austin, Austin, USA
E-mail: pren@mail.utexas.edu
Department of Biochemistry and Molecular Biophysics, Washington University in St. Louis, St. Louis, USA
Department of Chemistry, Washington University in Saint Louis, Saint Louis, USA
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