Protein–Ligand Interaction Energy-Based Entropy Calculations: Fundamental Challenges For Flexible Systems

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Authors: Gergely Kohut, Adam Liwo, Szilvia Bősze, Tamás Beke-Somfai, Sergey A. Samsonov

Journal title: The Journal of Physical Chemistry B

Journal number: 122/32

Journal publisher: American Chemical Society

Published year: 2018

Published pages: 7821-7827

DOI identifier: 10.1021/acs.jpcb.8b03658

ISSN: 1520-6106