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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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Gresh N, El Hage K, Lagardère L, et al. (2023) Enforcing Local DNA Kinks by Sequence-Selective Trisintercalating Oligopeptides of a Tricationic Porphyrin: A Polarizable Molecular Dynamics Study. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. e202300776
El Hage K, Ribaudo G, Lagardère L, et al. (2022) Targeting the Major Groove of the Palindromic d(GGCGCC) Sequence by Oligopeptide Derivatives of Anthraquinone Intercalators. Journal of Chemical Information and Modeling
Naseem-Khan S, Lagardère L, Narth C, et al. (2022) Development of the Quantum-Inspired SIBFA Many-Body Polarizable Force Field: Enabling Condensed-Phase Molecular Dynamics Simulations. Journal of Chemical Theory and Computation
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
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
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
El Khoury L, El Hage K, Piquemal J, et al. (2019) Spectrometric and computational studies of the binding of HIV-1 integrase inhibitors to viral DNA extremities Peerj Physical Chemistry. 1: e6
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