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Julian Garrec

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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⟩
Journal articles hal-02322041v1

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⟩
Journal articles hal-02409525v1
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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⟩
Journal articles hal-04392322v1

β-Lactam Synthesis through Diodomethane Addition to Amide Dianions

Laurent El Kaim , Aurélie dos Santos , Marie Cordier , Alaa Zidan , Julian Garrec
Angewandte Chemie International Edition, 2017, 56 (40), pp.12179 - 12183. ⟨10.1002/anie.201706315⟩
Journal articles hal-01664662v1

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⟩
Journal articles hal-01153355v1

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⟩
Journal articles hal-01114965v1

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⟩
Journal articles hal-01153305v1
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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⟩
Journal articles 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⟩
Journal articles 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⟩
Journal articles 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⟩
Journal articles hal-01115345v1
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Pushing the Frontiers of First-Principles Based Computer Simulations of Chemical and Biological Systems

Elizabeth Brunk , Ivano Tavernelli , Stefano Vanni , Thomas J Penfold , Giulia Palermo
CHIMIA, 2011, 65 (9), pp.667-671. ⟨10.2533/chimia.2011.667⟩
Journal articles hal-04527330v1

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⟩
Journal articles hal-01116257v1

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⟩
Journal articles hal-01116672v1