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Molecular binding

Under water's influence

Nature Chemistry volume 2, pages 906–907 (2010)Cite this article

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Hydration is known to affect molecular-recognition processes, such as those between proteins and ligands. Now, theoretical simulations provide thermodynamic insight into cavity–ligand binding, revealing how it is predominantly driven by the behaviour of the few surrounding water molecules.

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Figure 1: Schematic representation of a ligand-binding reaction in water.

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Authors and Affiliations

  1. Gerhard Hummer is in the Laboratory of Chemical Physics, National Institute of Diabetes and Digestive and Kidney Diseases, National Institutes of Health, Bethesda, Maryland 20892-0520, USA. Gerhard.Hummer@nih.gov,

    Gerhard Hummer

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  1. Gerhard Hummer
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Hummer, G. Under water's influence. Nature Chem 2, 906–907 (2010). https://doi.org/10.1038/nchem.885

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