Julian Garrec

Boyang Xu, Julian Garrec, André Nicolle, Mickaël Matrat, Laurent Catoire. Temperature and Pressure Dependent Rate Coefficients for the Reaction of Ketene with Hydroxyl Radical. Journal of Physical Chemistry A, American Chemical Society, 2019, 123 (13), pp.2483-2496. ⟨10.1021/acs.jpca.8b11273⟩. ⟨hal-02409525⟩

Julian Garrec, Marie Cordier, Gilles Frison, Sébastien Prevost. Palladium‐Catalyzed C8‐Arylation of Naphthalenes through C−H Activation: A Combined Experimental and Computational Study. Chemistry - A European Journal, Wiley-VCH Verlag, 2019, 25, pp.14441-14446. ⟨10.1002/chem.201903500⟩. ⟨hal-02322041⟩

Laurent El Kaim, Aurélie dos Santos, Marie Cordier, Alaa Zidan, Julian Garrec, et al.. β-Lactam Synthesis through Diodomethane Addition to Amide Dianions. Angewandte Chemie International Edition, Wiley-VCH Verlag, 2017, 56 (40), pp.12179 - 12183. ⟨10.1002/anie.201706315⟩. ⟨hal-01664662⟩

Julian Garrec, Antonio Monari, Xavier Assfeld, Lluis M. Mir, Mounir Tarek. Lipid Peroxidation in Membranes: The Peroxyl Radical Does Not “Float”. Journal of Physical Chemistry Letters, American Chemical Society, 2014, 5 (10), pp.1653-1658. ⟨10.1021/jz500502q⟩. ⟨hal-01153355⟩

Julian Garrec, Elise Dumont. Are Dinucleoside Monophosphates Relevant Models for the Study of DNA Intrastrand Cross-Link Lesions? The Example of G[8–5m]T. Chemical Research in Toxicology, American Chemical Society, 2014, 27 (7), pp.1282-1293. ⟨10.1021/tx4004616⟩. ⟨hal-01114965⟩

C. Patel, Julian Garrec, Celine Dupont, E. Dumont. What Singles Out the G[8-5]C Intrastrand DNA Cross-Link? Mechanistic and Structural Insights from Quantum Mechanics/Molecular Mechanics Simulations. Biochemistry, American Chemical Society, 2013, 52 (2), pp.425-431. ⟨10.1021/bi301198h⟩. ⟨hal-00828536⟩

Pascal Baillod, Julian Garrec, Ivano Tavernelli, Ursula Rothlisberger. Prion versus doppel protein misfolding: new insights from replica-exchange molecular dynamics simulations.. Biochemistry, American Chemical Society, 2013, 52 (47), pp.8518-26. ⟨10.1021/bi400884e⟩. ⟨hal-01153305⟩

Pascal Baillod, Julian Garrec, Maria-Carola Colombo, Ivano Tavernelli, Ursula Rothlisberger. Enhanced sampling molecular dynamics identifies PrP(Sc) structures harboring a C-terminal β-core.. Biochemistry, American Chemical Society, 2012, 51 (49), pp.9891-9. ⟨10.1021/bi301091x⟩. ⟨hal-01153299⟩

Julian Garrec, Chandan Patel, Ursula Rothlisberger, Elise Dumont. Insights into Intrastrand Cross-Link Lesions of DNA from QM/MM Molecular Dynamics Simulations. Journal of the American Chemical Society, American Chemical Society, 2012, 134 (4), pp.2111-2119. ⟨10.1021/ja2084042⟩. ⟨hal-01115345⟩

Julian Garrec, P. Sautet, P. Fleurat-Lessard. Understanding the HIV-1 Protease Reactivity with DFT: What Do We Gain from Recent Functionals?. Journal of Physical Chemistry B, American Chemical Society, 2011, 115 (26), pp.8545-8558. ⟨10.1021/jp200565w⟩. ⟨hal-01116257⟩

Julian Garrec, Michele Cascella, Ursula Rothlisberger, Paul Fleurat-Lessard. Low Inhibiting Power of N···CO Based Peptidomimetic Compounds against HIV-1 Protease: Insights from a QM/MM Study. Journal of Chemical Theory and Computation, American Chemical Society, 2010, 6 (4), pp.1369-1379. ⟨10.1021/ct9004728⟩. ⟨hal-01116672⟩