Polarizable Water Networks in Ligand–Metalloprotein Recognition. Impact on the Relative Complexation Energies of Zn-Dependent Phosphomannose Isomerase with d -Mannose 6-Phosphate Surrogates

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https://hal.archives-ouvertes.fr/hal-02126871
Contributor : Jean-Philip Piquemal <>
Submitted on : Monday, May 13, 2019 - 7:16:35 AM
Last modification on : Wednesday, May 15, 2019 - 11:12:09 AM

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Nohad Gresh, Benoit de Courcy, Jean-Philip Piquemal, Johanna Foret, Stéphanie Courtiol-Legourd, et al.. Polarizable Water Networks in Ligand–Metalloprotein Recognition. Impact on the Relative Complexation Energies of Zn-Dependent Phosphomannose Isomerase with d -Mannose 6-Phosphate Surrogates. Journal of Physical Chemistry B, American Chemical Society, 2011, 115 (25), pp.8304-8316. ⟨10.1021/jp2024654⟩. ⟨hal-02126871⟩

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