Article

Molecular binding: Under water's influence.

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. .
Nature Chemistry (Impact Factor: 23.3). 11/2010; 2(11):906-7. DOI: 10.1038/nchem.885
Source: PubMed

ABSTRACT 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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