Chemical Physics Letters, Vol.555, 306-309, 2013
Comment on'Molecular driving forces of the pocket-ligand hydrophobic association' by G. Graziano, Chem. Phys. Lett. 533 (2012) 95
We comment on a study by G. Graziano recently published in Chem. Phys. Lett. 533 (2012) 95, which presented an alternative interpretation of our previous study on hydrophobic cavity-ligand association [P. Setny, R. Baron, J.A. McCammon, J. Chem. Theory Comput. 6 (2010) 2866]. Here, we show why this interpretation is not appropriate in the context of cavity-ligand binding. We also demonstrate that a thorough understanding of an association process can be achieved only after considering all entropic and enthalpic contributions, including also those that cancel with each other. (C) 2012 Elsevier B. V. All rights reserved.