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Nohad Gresh, Ph.D.

Affiliations: 
2014- Chemistry Université Pierre et Marie Curie/CNRS 
 2018- Chemistry Sorbonne Université, Paris, France 
Area:
Theoretical Chemistry
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"Nohad Gresh"
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Parents

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Alberte Pullman grad student 1976 Universite Paris Descartes
 (RECHERCHES THEORIQUES SUR LA SOLVATATION ET LA METALLATION DE L ATETE POLAIRE DES MEMBRANES BIOLOGIQUES INTERACTIONS INTERMOLECULAIRES : ETUDE DE COMPLEXES SPECIFIQUES D'INTERET BIOCHIMIQUE)
Pierre Claverie grad student 1982 Universite Paris Descartes
 (RECHERCHES THEORIQUES SUR LE CALCUL DES INTERACTIONS INTERMOLECULAIRES : ETUDE DE COMPLEXES SPECIFIQUES D'INTERET BIOCHIMIQUE)
Bernard Pullman grad student 1982 Université Pierre et Marie Curie
 (Thèse d'Etat: RECHERCHES THEORIQUES SUR LE CALCUL DES INTERACTIONS INTERMOLECULAIRES : ETUDE DE COMPLEXES SPECIFIQUES D'INTERET BIOCHIMIQUE)
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Publications

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El Ahdab D, Lagardère L, Inizan TJ, et al. (2021) Interfacial Water Many-Body Effects Drive Structural Dynamics and Allosteric Interactions in SARS-CoV-2 Main Protease Dimerization Interface. The Journal of Physical Chemistry Letters. 6218-6226
Gresh N, Perahia D. (2021) Multimolecular complexes of the phosphodiester anion with Zn(II) or Mg(II) and water molecules-Preliminary validations of a polarizable potential by ab initio quantum chemistry. Journal of Computational Chemistry
Naseem-Khan S, Gresh N, Misquitta AJ, et al. (2021) Assessment of SAPT and Supermolecular EDA Approaches for the Development of Separable and Polarizable Force Fields. Journal of Chemical Theory and Computation
Kwapien K, Gavara L, Docquier JD, et al. (2020) Intermolecular interactions of the extended recognition site of VIM-2 metallo-β-lactamase with 1,2,4-triazole-3-thione inhibitors. Validations of a polarizable molecular mechanics potential by ab initio QC. Journal of Computational Chemistry
Gavara L, Sevaille L, De Luca F, et al. (2020) 4-Amino-1,2,4-triazole-3-thione-derived Schiff bases as metallo-β-lactamase inhibitors. European Journal of Medicinal Chemistry. 208: 112720
Gavara L, Verdirosa F, Legru A, et al. (2020) 4-(-Alkyl- and -Acyl-amino)-1,2,4-triazole-3-thione Analogs as Metallo-β-Lactamase Inhibitors: Impact of 4-Linker on Potency and Spectrum of Inhibition. Biomolecules. 10
El Darazi P, El Khoury L, El Hage K, et al. (2020) Quantum-Chemistry Based Design of Halobenzene Derivatives With Augmented Affinities for the HIV-1 Viral G/C Base-Pair. Frontiers in Chemistry. 8: 440
El Khoury L, Célerse F, Lagardère L, et al. (2020) Reconciling NMR Structures of the HIV-1 Nucleocapsid Protein (NCp7) using Extensive Polarizable Force Field Free-Energy Simulations. Journal of Chemical Theory and Computation
Devillers M, Piquemal JP, Salmon L, et al. (2020) Calibration of the dianionic phosphate group: Validation on the recognition site of the homodimeric enzyme phosphoglucose isomerase. Journal of Computational Chemistry
Ongaro A, Ribaudo G, Braud E, et al. (2020) Design and synthesis of a peptide derivative of ametantrone targeting the major groove of the d(GGCGCC)2 palindromic sequence New Journal of Chemistry. 44: 3624-3631
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