Nohad Gresh

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 10

Top Topics

Density Functional Theory

Multidrug Resistant

Molecular Dynamics

Top Venues

Journal of computational chemistry

The journal of physical chemistry. B

The journal of physical chemistry letters

Chemphyschem : a European journal of chemical physics and physical chemistry

This page only lists publications with an associated author ORCID identifier.

Publications

Nohad Gresh, Krystel El Hage, Louis Lagardère, Frédérique Brégier, Jérémy Godard, Jean-Philip Piquemal, Martine Perrée-Fauvet, Vincent Sol
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 (2023)
Krystel El Hage, Giovanni Ribaudo, Louis Lagardère, Alberto Ongaro, Philippe H Kahn, Luc Demange, Jean-Philip Piquemal, Giuseppe Zagotto, Nohad Gresh
Targeting the Major Groove of the Palindromic d(GGCGCC) 2 Sequence by Oligopeptide Derivatives of Anthraquinone Intercalators. Journal of chemical information and modeling (2022)
Sehr Naseem-Khan, Nohad Gresh, Alston J Misquitta, Jean-Philip Piquemal
Assessment of SAPT and Supermolecular EDA Approaches for the Development of Separable and Polarizable Force Fields. Journal of chemical theory and computation 17 (5) (2021)
Dina El Ahdab, Louis Lagardère, Théo Jaffrelot Inizan, Fréderic Célerse, Chengwen Liu, Olivier Adjoua, Luc-Henri Jolly, Nohad Gresh, Zeina Hobaika, Pengyu Ren, Richard G Maroun, Jean-Philip Piquemal
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 12 (26) (2021)
Nohad Gresh, David Perahia
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 42 (20) (2021)
Karolina Kwapien, Laurent Gavara, Jean Denis Docquier, Dorothée Berthomieu, Jean-François Hernandez, Nohad Gresh
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 42 (2) (2020)
Marion Devillers, Jean-Philip Piquemal, Laurent Salmon, Nohad Gresh
Calibration of the dianionic phosphate group: Validation on the recognition site of the homodimeric enzyme phosphoglucose isomerase. Journal of computational chemistry 41 (8) (2020)
Nohad Gresh, Sehr Naseem-Khan, Louis Lagardère, Jean-Philip Piquemal, Judit E Sponer, Jiri Sponer
Channeling through Two Stacked Guanine Quartets of One and Two Alkali Cations in the Li+, Na+, K+, and Rb+ Series. Assessment of the Accuracy of the SIBFA Anisotropic Polarizable Molecular Mechanics Potential. The journal of physical chemistry. B 121 (16) (2017)
Karolina Kwapien, Mirna Damergi, Serge Nader, Léa El Khoury, Zeina Hobaika, Richard G Maroun, Jean-Philip Piquemal, Laurent Gavara, Dorothée Berthomieu, Jean-François Hernandez, Nohad Gresh
Calibration of 1,2,4-Triazole-3-Thione, an Original Zn-Binding Group of Metallo-β-Lactamase Inhibitors. Validation of a Polarizable MM/MD Potential by Quantum Chemistry. The journal of physical chemistry. B 121 (26) (2017)
Léa El Khoury, Sehr Naseem-Khan, Karolina Kwapien, Zeina Hobaika, Richard G Maroun, Jean-Philip Piquemal, Nohad Gresh
Importance of explicit smeared lone-pairs in anisotropic polarizable molecular mechanics. Torture track angular tests for exchange-repulsion and charge transfer contributions. Journal of computational chemistry 38 (22) (2017)