Julian Garrec

Présentation

Publications

Article dans une revue (14)

5‐ endo‐dig Cyclization of O‐Propargyl Mandelic Acid Amides towards 2,5‐Dihydrofurans Lilia Ben Gaied,Nicolas Fincias,Julian Garrec,Laurent El Kaïm European Journal of Organic Chemistry, 2019, 2019 (47), pp.7656-7665. ⟨10.1002/ejoc.201901397⟩ Article dans une revue hal-04392322v1
Temperature and Pressure Dependent Rate Coefficients for the Reaction of Ketene with Hydroxyl Radical Boyang Xu,Julian Garrec,André Nicolle,Mickaël Matrat,Laurent Catoire Journal of Physical Chemistry A, 2019, 123 (13), pp.2483-2496. ⟨10.1021/acs.jpca.8b11273⟩ Article dans une revue hal-02409525v1
Palladium‐Catalyzed C8‐Arylation of Naphthalenes through C−H Activation: A Combined Experimental and Computational Study Julian Garrec,Marie Cordier,Gilles Frison,Sébastien Prevost Chemistry - A European Journal, 2019, 25, pp.14441-14446. ⟨10.1002/chem.201903500⟩ Article dans une revue hal-02322041v1
β-Lactam Synthesis through Diodomethane Addition to Amide Dianions Laurent El Kaim,Aurélie dos Santos,Marie Cordier,Alaa Zidan,Julian Garrecet al. Angewandte Chemie International Edition, 2017, 56 (40), pp.12179 - 12183. ⟨10.1002/anie.201706315⟩ Article dans une revue hal-01664662v1
Are Dinucleoside Monophosphates Relevant Models for the Study of DNA Intrastrand Cross-Link Lesions? The Example of G[8–5m]T Julian Garrec,Elise Dumont Chemical Research in Toxicology, 2014, 27 (7), pp.1282-1293. ⟨10.1021/tx4004616⟩ Article dans une revue hal-01114965v1
Lipid Peroxidation in Membranes: The Peroxyl Radical Does Not “Float” Julian Garrec,Antonio Monari,Xavier Assfeld,Lluis M. Mir,Mounir Tarek Journal of Physical Chemistry Letters, 2014, 5 (10), pp.1653-1658. ⟨10.1021/jz500502q⟩ Article dans une revue hal-01153355v1
Prion versus doppel protein misfolding: new insights from replica-exchange molecular dynamics simulations. Pascal Baillod,Julian Garrec,Ivano Tavernelli,Ursula Rothlisberger Biochemistry, 2013, 52 (47), pp.8518-26. ⟨10.1021/bi400884e⟩ Article dans une revue hal-01153305v1
Two Misfolding Routes for the Prion Protein around pH 4.5 Julian Garrec,Ivano Tavernelli,Ursula Rothlisberger PLoS Computational Biology, 2013, 9 (5), pp.e1003057. ⟨10.1371/journal.pcbi.1003057⟩ Article dans une revue hal-04527329v1
What Singles Out the G[8-5]C Intrastrand DNA Cross-Link? Mechanistic and Structural Insights from Quantum Mechanics/Molecular Mechanics Simulations C. Patel,Julian Garrec,Celine Dupont,E. Dumont Biochemistry, 2013, 52 (2), pp.425-431. ⟨10.1021/bi301198h⟩ Article dans une revue hal-00828536v1
Enhanced sampling molecular dynamics identifies PrP(Sc) structures harboring a C-terminal β-core. Pascal Baillod,Julian Garrec,Maria-Carola Colombo,Ivano Tavernelli,Ursula Rothlisberger Biochemistry, 2012, 51 (49), pp.9891-9. ⟨10.1021/bi301091x⟩ Article dans une revue hal-01153299v1
Insights into Intrastrand Cross-Link Lesions of DNA from QM/MM Molecular Dynamics Simulations Julian Garrec,Chandan Patel,Ursula Rothlisberger,Elise Dumont Journal of the American Chemical Society, 2012, 134 (4), pp.2111-2119. ⟨10.1021/ja2084042⟩ Article dans une revue hal-01115345v1
Understanding the HIV-1 Protease Reactivity with DFT: What Do We Gain from Recent Functionals? Julian Garrec,P. Sautet,P. Fleurat-Lessard Journal of Physical Chemistry B, 2011, 115 (26), pp.8545-8558. ⟨10.1021/jp200565w⟩ Article dans une revue hal-01116257v1
Pushing the Frontiers of First-Principles Based Computer Simulations of Chemical and Biological Systems Elizabeth Brunk,Ivano Tavernelli,Stefano Vanni,Thomas J Penfold,Giulia Palermoet al. CHIMIA, 2011, 65 (9), pp.667-671. ⟨10.2533/chimia.2011.667⟩ Article dans une revue (article de synthèse) hal-04527330v1
Low Inhibiting Power of N···CO Based Peptidomimetic Compounds against HIV-1 Protease: Insights from a QM/MM Study Julian Garrec,Michele Cascella,Ursula Rothlisberger,Paul Fleurat-Lessard Journal of Chemical Theory and Computation, 2010, 6 (4), pp.1369-1379. ⟨10.1021/ct9004728⟩ Article dans une revue hal-01116672v1

Communication dans un congrès (2)

Predictions of gas phase thermochemical properties and solvation free energies from ab initio calculation. Applications the thermal decomposition of biomass. Chourouk Nait Saidi,Detlev Conrad Mielczarek,Julian Garrec,Patrice Paricaud,L. Catoire Thermodynamics 2019, 2019, Huelva, Spain Communication dans un congrès hal-03615528v1
Multi-scale simulations of complex oxidatively-generated DNA lesions: reactivity and structure. Elise Dumont,Chandan Patel,Julian Garrec 9th Congress on Electronic Structure: Principles and Applications (ESPA), Jul 2014, Badajoz, Spain Communication dans un congrès hal-02061507v1

Poster de conférence (2)

Palladium-Catalyzed Regioselective Halogenation of 1-Naphthaldehydes: Direct Access to Natural Product Skeletons Hugo Amistadi-Revol,Julian Garrec,Nicolas Casaretto,Sébastien Prévost Journées nord-ouest européennes des jeunes chercheurs, Jun 2023, Villeneuve d’Ascq, France Poster de conférence hal-04315901v1
Development of new strategies for the synthesis of aromatic polyketides in the corymbiferan series Sébastien Prévost,Maroun Kassis,Julian Garrec,Marie Cordier,Gilles Frisonet al. Journées de Chimie Organique 2019, Oct 2019, Palaiseau, France Poster de conférence hal-04315343v1