Binding of 5-phospho-D-arabinonohydroxamate and 5-phospho-D-arabinonate inhibitors to zinc phosphomannose isomerase fromCandida albicans studied by polarizable molecular mechanics and quantum mechanics

Céline Roux; Nohad Gresh; Lalith Perera; Jean-Philip Piquemal; Laurent Salmon

Binding of 5-phospho-D-arabinonohydroxamate and 5-phospho-D-arabinonate inhibitors to zinc phosphomannose isomerase fromCandida albicans studied by polarizable molecular mechanics and quantum mechanics

Céline Roux ¹ Nohad Gresh ² Lalith Perera ³ Jean-Philip Piquemal ⁴ Laurent Salmon ¹

1 ICMO - ICMO

2 PMC - UMR_S 648 - Pharmacochimie Moléculaire et Cellulaire

3 NIEHS - National Institute of Environmental Health Sciences

4 LCT - Laboratoire de chimie théorique

Document type :

Journal articles

Domain :

Chemical Sciences / Theoretical and/or physical chemistry

Complete list of metadatas

https://hal.archives-ouvertes.fr/hal-02126881
Contributor : Jean-Philip Piquemal <>
Submitted on : Monday, May 13, 2019 - 7:32:31 AM
Last modification on : Wednesday, May 15, 2019 - 11:12:09 AM

Binding of 5-phospho-D-arabinonohydroxamate and 5-phospho-D-arabinonate inhibitors to zinc phosphomannose isomerase fromCandida albicans studied by polarizable molecular mechanics and quantum mechanics

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Binding of 5-phospho-D-arabinonohydroxamate and 5-phospho-D-arabinonate inhibitors to zinc phosphomannose isomerase fromCandida albicans studied by polarizable molecular mechanics and quantum mechanics

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