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Chargee de Recherche CNRS en Physico-Chimie Theorique


  • Oct 2006 - Chargée de Recherche CNRS

Etudes de structures et de proprietes physico-chimiques de molecules biologiques

par simulations numeriques et calculs de chimie quantique

dans l’équipe de Physico-Chimie Théorique de l'Institut Lumiere Matiere (UMR UCBL-CNRS 5306).

 

  • Sep. 2005 - Sep. 2006 Post-doctorante

Calculs des proprietes optiques non lineaires de colorants

dans l’équipe de Physico-Chimie Théorique du Laboratoire de Spectrometrie Ionique et Moleculaire (UMR UCBL-CNRS 5579), Lyon, France

 

  • Sep. 2004– Août 2005  Post-doctorante

Calculs de structures electroniques de solides magnetiques ou supra-conducteurs par la theorie de la fonctionelle de la densite

dans le groupe de H. Rosner, Max Planck Institut for Chemical Physics of Solids, Dresden, Allemagne

 

  • Sep. 1999 – Sep. 2004 Thèse en chimie physique en cotutelle :  Lyon, France / Mainz et Bielefeld, Allemagne

Modelisation Moleculaire de phases lamellaires de molecules amphiphiles

sous la direction de Pr. F. Schmid, Département de Physique, Universite de Mainz, Allemagne,

et de Pr. M. Masreschal, Centre Europeen de Calcul Atomique et Moleculaire, Lyon, France


Journal articles14 documents

  • Guillaume Le Breton, Oriane Bonhomme, Pierre-François Brevet, Emmanuel Benichou, Claire Loison. First hyperpolarizability of water at the air–vapor interface: a QM/MM study questions standard experimental approximations. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2021, 23 (43), pp.24932-24941. ⟨10.1039/D1CP02258J⟩. ⟨hal-03428115⟩
  • Othmene Benazieb, Claire Loison, Fabrice Thalmann. Rheology of sliding leaflets in coarse-grained DSPC lipid bilayers. Physical Review E , American Physical Society (APS), 2021, 104 (5), pp.054802. ⟨hal-03016981⟩
  • Florian Benedetti, Li Fu, Fabrice Thalmann, Thierry Charitat, Anne Rubin, et al.. Coarse-Grain Simulations of Solid Supported Lipid Bilayers with Varying Hydration Levels. Journal of Physical Chemistry B, American Chemical Society, 2020, 124 (38), pp.8287-8298. ⟨10.1021/acs.jpcb.0c03913⟩. ⟨hal-02973275⟩
  • Florian Benedetti, Claire Loison. Comment to: “Martini straight: Boosting performance using a shorter cutoff and GPUs” by D.H. de Jong, S. Baoukina, H.I. Ingólfsson, and S.J. Marrink. Computer Physics Communications, Elsevier, 2018, 228, pp.146-151. ⟨10.1016/j.cpc.2018.02.003⟩. ⟨hal-02309299⟩
  • Baptiste Schindler, Loïc Barnes, Gina Renois, Christopher Gray, Stéphane Chambert, et al.. Anomeric memory of the glycosidic bond upon fragmentation and its consequences for carbohydrate sequencing. Nature Communications, Nature Publishing Group, 2017, 8 (1), pp.973. ⟨10.1038/s41467-017-01179-y⟩. ⟨hal-01673946⟩
  • Andrea Catte, Mykhailo Girych, Matti Javanainen, Claire Loison, Josef Melcr, et al.. Molecular electrometer and binding of cations to phospholipid bilayers. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2016, 18, pp.32560-32569. ⟨10.1039/c6cp04883h⟩. ⟨hal-02303912⟩
  • Evangeline Drink, Elise Dumont, Nils Aronssohn, Philippe Dugourd, Rodolphe Antoine, et al.. Optical Properties of Prodigiosin and Obatoclax. Action Spectroscopy and Theoretical Calculations. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2015, http://pubs.rsc.org/en/content/articlelanding/2015/cp/c5cp01498k#!divAbstract. ⟨10.1039/C5CP01498K⟩. ⟨hal-01160097⟩
  • Alexandru Botan, Laurent Joly, Nicolas Fillot, Claire Loison. Mixed Mechanism of Lubrication by Lipid Bilayer Stacks.. Langmuir, American Chemical Society, 2015, 31 (44), pp.12197-202. ⟨10.1021/acs.langmuir.5b02786⟩. ⟨hal-02308161⟩
  • Alexandru Botan, Fernando Favela-Rosales, Patrick F. J. Fuchs, Matti Javanainen, Matej Kanduc, et al.. Toward Atomistic Resolution Structure of Phosphatidylcholine Headgroup and Glycerol Backbone at Different Ambient Conditions. Journal of Physical Chemistry B, American Chemical Society, 2015, 119 (49), pp.15075-15088. ⟨10.1021/acs.jpcb.5b04878⟩. ⟨hal-02308166⟩
  • Kerstin Falk, Nicolas Fillot, Ana-Maria Sfarghiu, Yves Berthier, Claire Loison. Interleaflet sliding in Lipidic Bilayers under Shear Flow: Comparison of the Gel and Fluid Phases using Reversed Non-Equilibrium Molecular Dynamics Simulations.. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2014, 16 (5), pp.2154-66. ⟨10.1039/c3cp53238k⟩. ⟨hal-00934316⟩
  • Claire Loison, Mehmet Nail Nasir, Emmanuel Benichou, Françoise Besson, Pierre-François Brevet. Multi-scale modeling of mycosubtilin lipopeptides at the air/water interface: structure and optical second harmonic generation. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2014, 16 (5), pp.2136-2148. ⟨10.1039/c3cp53101e⟩. ⟨hal-01142523⟩
  • Mehmet Nail Nasir, Emmanuel Benichou, Claire Loison, Isabelle Russier-Antoine, Françoise Besson, et al.. Influence of the tyrosine environment on the second harmonic generation of iturinic antimicrobial lipopeptides at the air-water interface.. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2013, 15 (45), pp.19919-24. ⟨10.1039/c3cp53098a⟩. ⟨hal-00917880⟩
  • Quentin Enjalbert, Amandine Racaud, Jérôme Lemoine, Sébastien Redon, Mehmet Menaf Ayhan, et al.. Optical properties of a visible push-pull chromophore covalently bound to carbohydrates: solution and gas-phase spectroscopy combined to theoretical Investigations. Journal of Physical Chemistry B, American Chemical Society, 2012, 116 (2), pp.841-851. ⟨10.1021/jp2099015⟩. ⟨hal-00875784⟩
  • Claire Loison, Rodolphe Antoine, Michel Broyer, Philippe Dugourd, Julien Guthmuller, et al.. Microsolvation Effects on the Optical Properties of Crystal Violet. Chemistry - A European Journal, Wiley-VCH Verlag, 2008, 14 (24), pp.7351-7357. ⟨10.1002/chem.200800547⟩. ⟨hal-03368134⟩

Conference papers3 documents

  • Emeric Miclet, Anas Terrien, Claire Loison, Luminita Duma, Thierry Brigaud, et al.. New insights into the structural and dynamics properties of collagen model peptides using CD spectroscopy, MD simulations and innovative NMR approaches. 35th European Peptide Symposium, Aug 2018, Dublin, Ireland. pp.192-194, ⟨10.17952/35EPS.2018.192⟩. ⟨hal-02057961⟩
  • Ariane Deniset-Besseau, Paolo de Sa Peixoto, J. Duboisset, Claire Loison, François Hache, et al.. Nonlinear optical response of the collagen triple helix and second harmonic microscopy of collagen liquid crystals. Multiphoton Microscopy in the Biomedical Sciences X, Jan 2010, San Francisco, CA, United States. pp.Second Harmonic Generation II, ⟨10.1117/12.840873⟩. ⟨hal-00838897⟩
  • Ariane Deniset-Besseau, J. Duboisset, Claire Loison, E. Benichou, François Hache, et al.. Second order hyperpolarizability of the collagen triple helix: Measurement and determination of its physical origin. European Conference on Lasers and Electro-Optics and the European Quantum Electronics Conference. CLEO Europe-EQEC 2009, Jun 2009, Munich, Germany. ⟨10.1109/CLEOE-EQEC.2009.5194760⟩. ⟨hal-00838920⟩