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

Nohad Gresh; Benoit de Courcy; Jean-Philip Piquemal; Johanna Foret; Stéphanie Courtiol-Legourd; Laurent Salmon

doi:10.1021/jp2024654

Journal articles

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

Nohad Gresh ¹ Benoit de Courcy ² Jean-Philip Piquemal ² Johanna Foret ³ Stéphanie Courtiol-Legourd ³ Laurent Salmon ³

1 PMC - UMR_S 648 - Pharmacochimie Moléculaire et Cellulaire

2 LCT - Laboratoire de chimie théorique

3 ICMO - ICMO

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Journal articles

Domain :

Chemical Sciences / Theoretical and/or physical chemistry

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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 : Friday, May 7, 2021 - 7:44:04 PM

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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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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