Krystel El Hage

Publications

Article dans une revue (20)

Targeting RNA with small molecules using state-of-the-art methods provides highly predictive affinities of riboswitch inhibitors Narjes Ansari,Chengwen Liu,Florent Hédin,Jérôme Hénin,Jay W Ponderet al. Communications Biology, 2025, 8 (1), pp.1405. ⟨10.1038/s42003-025-08809-y⟩ Article dans une revue hal-05498925v1
Targeting RNA with Small Molecules using State-of-the-Art Methods Provides Highly Predictive Affinities of Riboswitch Inhibitors Narjes Ansari,Chengwen Liu,Florent Hedin,Jérôme Hénin,Jay W. Ponderet al. Communications Biology, 2025, 8, pp.1405. ⟨10.1038/s42003-025-08809-y⟩ Article dans une revue hal-04742743v3
Targeting RNA:protein interactions with an integrative approach leads to the identification of potent YBX1 inhibitors Krystel El Hage,Nicolas Babault,Olek Maciejak,Bénédicte Desforges,Pierrick Craveuret al. eLife, 2023, 12, pp.e80387. ⟨10.7554/eLife.80387⟩ Article dans une revue hal-03955052v1
Targeting the Major Groove of the Palindromic d(GGCGCC)2 Sequence by Oligopeptide Derivatives of Anthraquinone Intercalators Krystel El Hage,Giovanni Ribaudo,Louis Lagardère,Alberto Ongaro,Philippe H. Kahnet al. Journal of Chemical Information and Modeling, 2022, 62 (24), pp.6649-6666. ⟨10.1021/acs.jcim.2c00337⟩ Article dans une revue hal-03624169v1
Identification of a small molecule splicing inhibitor targeting UHM domains Asaki Kobayashi,Marie-Jeanne Clément,Pierrick Craveur,Krystel El Hage,Jean Matha Saloneet al. FEBS Journal, 2021, 289 (3), pp.682-698. ⟨10.1111/febs.16199⟩ Article dans une revue hal-03354012v1
YB-1 unwinds mRNA secondary structures in vitro and negatively regulates stress granule assembly in HeLa cells Karina Budkina,Krystel El Hage,Marie-Jeanne Clément,Bénédicte Desforges,Ahmed Bouhsset al. Nucleic Acids Research, 2021, 49 (17), pp.10061-10081. ⟨10.1093/nar/gkab748⟩ Article dans une revue hal-03333572v1
Lin28, a major translation reprogramming factor, gains access to YB-1-packaged mRNA through its cold-shock domain Anastasiia Samsonova,Krystel El Hage,Bénédicte Desforges,Vandana Joshi,Marie-Jeanne Clémentet al. Communications Biology, 2021, 4 (1), pp.359. ⟨10.1038/s42003-021-01862-3⟩ Article dans une revue hal-03176308v1
The cooperative binding of TDP-43 to GU-rich RNA repeats antagonizes TDP-43 aggregation Juan Carlos Rengifo-Gonzalez,Krystel El Hage,Marie-Jeanne Clément,Emilie Steiner,Vandana Joshiet al. eLife, 2021, 10, pp.e.67605. ⟨10.7554/eLife.67605⟩ Article dans une revue hal-03343496v1
Water Dynamics Around Proteins: T- and R-States of Hemoglobin and Melittin Marco Pezzella,Krystel El Hage,Michiel Niesen,Sucheol Shin,Adam Willardet al. Journal of Physical Chemistry B, 2020, 124 (30), pp.6540-6554. ⟨10.1021/acs.jpcb.0c04320⟩ Article dans une revue hal-02969027v1
Quantum-Chemistry based design of halobenzene derivatives with augmented affinities for the HIV-1 viral G4/C16 base-pair. Perla El Darazi,Léa El Khoury,Krystel El Hage,Richard G. Maroun,Zeina Hobaikaet al. Frontiers in Chemistry, 2020, 8, pp.440. ⟨10.3389/fchem.2020.00440⟩ Article dans une revue hal-02377718v1
Spectrometric and computational studies of the binding of HIV-1 integrase inhibitors to viral DNA extremities Léa El-Khoury,Krystel El Hage,Jean-Philip Piquemal,Serge Fermandjian,Richard G. Marounet al. PeerJ Physical Chemistry, 2019, 1, pp.e6. ⟨10.7717/peerj-pchem.6⟩ Article dans une revue hal-02372493v1
A Simple Isomerization of the Purine Scaffold of a Kinase Inhibitor, Roscovitine, Affords a Four- to Seven-Fold Enhancement of Its Affinity for Four CDKs. Could This Be Traced Back to Conjugation-Induced Stiffenings/Loosenings of Rotational Barriers? Krystel El Hage,Jean-Philip Piquemal,Nassima Oumata,Laurent Meijer,Hervé Galonset al. ACS Omega, 2017, 2 (7), pp.3467-3474. ⟨10.1021/acsomega.7b00471⟩ Article dans une revue hal-02126840v1
Impact of Quadrupolar Electrostatics on Atoms Adjacent to the Sigma-Hole in Condensed-Phase Simulations Krystel El Hage,Tristan Bereau,Sofie Jakobsen,Markus Meuwly Journal of Chemical Theory and Computation, 2016, 12 (7), pp.3008-3019. ⟨10.1021/acs.jctc.6b00202⟩ Article dans une revue hal-02160334v1
Sequential Proton Coupled Electron Transfer (PCET): Dynamics Observed over 8 Orders of Magnitude in Time Luke Macaleese,Sylvain Hermelin,Krystel El Hage,Pierre Chouzenoux,Alexander Kuleszaet al. Journal of the American Chemical Society, 2016, 138 (13), pp.4401-4407. ⟨10.1021/jacs.5b12587⟩ Article dans une revue hal-01344620v1
Extending Halogen-based Medicinal Chemistry to Proteins Krystel El Hage,Vijay Pandyarajan,Nelson Phillips,Brian Smith,John Mentinget al. Journal of Biological Chemistry, 2016, 291 (53), pp.27023-27041. ⟨10.1074/jbc.M116.761015⟩ Article dans une revue hal-02160383v1
Could the “Janus-like” properties of the halobenzene CX bond (XCl, Br) be leveraged to enhance molecular recognition? Krystel El Hage,Jean-Philip Piquemal,Zeina Hobaika,Richard G. Maroun,Nohad Gresh Journal of Computational Chemistry, 2015, 36 (4), pp.210-221. ⟨10.1002/jcc.23786⟩ Article dans une revue istex hal-02126858v1
Approaching the double-faceted nature of the CX bond in halobenzenes with a bifunctional probe Krystel El Hage,Jean-Philip Piquemal,Zeina Hobaika,Richard G. Maroun,Nohad Gresh Chemical Physics Letters, 2015, 637, pp.51-57. ⟨10.1016/j.cplett.2015.07.047⟩ Article dans une revue istex hal-02126856v1
Polarizable Molecular Mechanics Studies of Cu(I)/Zn(II) Superoxide Dismutase: Bimetallic Binding Site and Structured Waters Nohad Gresh,Krystel El Hage,David Perahia,Jean-Philip Piquemal,C. Berthomieuet al. Journal of Computational Chemistry, 2014, 35 (29), pp.2096-2106. ⟨10.1002/jcc.23724⟩ Article dans une revue istex hal-01081843v1
Substituent-Modulated Affinities of Halobenzene Derivatives to the HIV-1 Integrase Recognition Site. Analyses of the Interaction Energies by Parallel Quantum Chemical and Polarizable Molecular Mechanics Krystel El Hage,Jean-Philip Piquemal,Zeina Hobaika,Richard G. Maroun,Nohad Gresh Journal of Physical Chemistry A, 2014, 118 (41), pp.9772-9782. ⟨10.1021/jp5079899⟩ Article dans une revue hal-02126859v1
Could an anisotropic molecular mechanics/dynamics potential account for sigma hole effects in the complexes of halogenated compounds? Krystel El Hage,Jean-Philip Piquemal,Zeina Hobaika,Richard G. Maroun,Nohad Gresh Journal of Computational Chemistry, 2013, 34 (13), pp.1125-1135. ⟨10.1002/jcc.23242⟩ Article dans une revue istex hal-02126864v1

Communication dans un congrès (1)

Targeting RNA:Protein Interactions using an Integrative Approach: Identification of Potent YB-1 Inhibitors Krystel El Hage ISQBP2022, Jul 2022, INSBRUCK, Austria Communication dans un congrès hal-04426506v1