Abstract:with its ligand 1-adamantanecarboxylic acid. Our volumetric measurements showed that the binding constant is significantly greater in a solution of 5% DMSO than in pure water. Our molecular dynamics simulations provided the vision at the molecular scale of the effect of DMSO in the binding event as well as associated free energy values in the presence and absence of 5% DMSO. This work should help in providing a better rationalization in the design of potent hydrophobic ligands knowing the DMSO contribution to … Show more
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