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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
Nohad Gresh
1
Benoit de Courcy
2
Jean-Philip Piquemal
2
Johanna Foret
3
Stéphanie Courtiol-Legourd
3
Laurent Salmon
3
Nohad Gresh 1
Author
Benoit de Courcy 2
Author
Jean-Philip Piquemal 2
Author IdHAL : jean-philip-piquemal ORCID : https://orcid.org/0000-0001-6615-9426 ResearcherId : http://www.researcherid.com/rid/B-9901-2009
Johanna Foret 3
Author
Stéphanie Courtiol-Legourd 3
Author
Laurent Salmon 3
Author
1
PMC - UMR_S 648 - Pharmacochimie Moléculaire et Cellulaire (Faculté de Médecine 45, rue des Saints-Pères 75270 PARIS CEDEX 06 - France)
- CNRS - Centre National de la Recherche Scientifique : IFR95 (France)
- INSERM - Institut National de la Santé et de la Recherche Médicale : U648 (101, rue de Tolbiac, 75013 Paris - France)
- UPD5 - Université Paris Descartes - Paris 5 : UMR_S648 (12, rue de l'École de Médecine - 75270 Paris cedex 06 - France)
2
LCT - Laboratoire de chimie théorique (Tour 12-13, 4ème étage, 4 place Jussieu, Case Courrier 137, 75252 PARIS - France)
- UPMC - Université Pierre et Marie Curie - Paris 6 (4 place Jussieu - 75005 Paris - France)
- INC - Institut de Chimie du CNRS (3 Rue Michel-Ange 75 016 Paris - France)
- CNRS - Centre National de la Recherche Scientifique : UMR7616 / UPR9070 (France)
3
ICMO - ICMO (91405 ORSAY - France)
- UP11 - Université Paris-Sud - Paris 11 (Bâtiment 300 - 91405 Orsay cedex - France)
Document type :
Journal articles
Complete list of metadata
https://hal.archives-ouvertes.fr/hal-02126871
Contributor : Jean-Philip Piquemal Connect in order to contact the contributor
Submitted on : Monday, May 13, 2019 - 7:16:35 AM
Last modification on : Thursday, March 31, 2022 - 8:20:03 AM
Contributor : Jean-Philip Piquemal Connect in order to contact the contributor
Submitted on : Monday, May 13, 2019 - 7:16:35 AM
Last modification on : Thursday, March 31, 2022 - 8:20:03 AM
Identifiers
- HAL Id : hal-02126871, version 1
- DOI : 10.1021/jp2024654
Collections
CNRS | LCT | UPMC | UNIV-PARIS5 | SORBONNE-UNIVERSITE | SU-SCIENCES | UNIV-PARIS | UNIV-PARIS-SACLAY | INC-CNRS
Citation
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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