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Multiple binding modes of ibuprofen in human serum albumin identified by absolute binding free energy calculations
Stefania Evoli, David L. Mobley, Rita Guzzi, Bruno Rizzuti
doi: https://doi.org/10.1101/068502
Stefania Evoli
1Department of Physics, University of Calabria, 87036 Rende, Italy
David L. Mobley
2Departments of Pharmaceutical Sciences and Chemistry, University of California, Irvine, United States of America
Rita Guzzi
1Department of Physics, University of Calabria, 87036 Rende, Italy
3CNISM Unit, University of Calabria, 87036 Rende, Italy
Bruno Rizzuti
4CNR-NANOTEC, Licryl-UOS Cosenza and CEMIF.Cal, Department of Physics, University of Calabria, 87036 Rende, Italy
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Posted August 08, 2016.
Multiple binding modes of ibuprofen in human serum albumin identified by absolute binding free energy calculations
Stefania Evoli, David L. Mobley, Rita Guzzi, Bruno Rizzuti
bioRxiv 068502; doi: https://doi.org/10.1101/068502
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