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  • Title: The influence of solvation on short strong hydrogen bonds: a density functional theory study of the Asp-His interaction in subtilisins.
    Author: Schiott B.
    Journal: Chem Commun (Camb); 2004 Mar 07; (5):498-9. PubMed ID: 14973576.
    Abstract:
    The effect of a structural water molecule on the electronic nature of the His64-Asp32 hydrogen bond in subtilisins is examined by DFT calculations; the structural water is found to favor a short strong hydrogen bond in the catalytic triad in sharp contrast to some current beliefs.
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