CL

Claire Loison

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Publications

Image document

Microscopic view on the polarization-resolved S-SHG intensity of the vapor/liquid interface of pure water

Guillaume Le Breton , C. Loison , Kevin Vynck , E. Benichou , O. Bonhomme
The Journal of Chemical Physics, 2024, 161 (15), pp.154712. ⟨10.1063/5.0231240⟩
Article dans une revue hal-04756407 v1
Image document

FROG: exploiting all-atom Molecular Dynamics trajectories to calculate linear and non-linear optical responses of molecular liquids within Dalton's QM/MM polarizable embedding scheme

Guillaume Le Breton , Oriane Bonhomme , Emmanuel Benichou , Claire Loison
The Journal of Chemical Physics, 2024, 160 (19), pp.194103. ⟨10.1063/5.0203424⟩
Article dans une revue hal-04576047 v1
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Liquid Water: When Hyperpolarizability Fluctuations Boost and Reshape the Second Harmonic Scattering Intensities

Guillaume Le Breton , Oriane Bonhomme , Emmanuel Benichou , Claire Loison
Journal of Physical Chemistry Letters, 2023, 14 (18), pp.4158-4163. ⟨10.1021/acs.jpclett.3c00546⟩
Article dans une revue hal-04155453 v1
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Inviting C5-Trifluoromethylated Pseudoprolines into Collagen Mimetic Peptides

Anaïs Terrien , Keyvan Rahgoshay , Emelyne Renaglia , Nathalie Lensen , Yves Jacquot et al.
Biomacromolecules, 2023, 24 (4), pp.1555-1562. ⟨10.1021/acs.biomac.2c01242⟩
Article dans une revue hal-04265852 v1
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First hyperpolarizability of water in bulk liquid phase: long-range electrostatic effects included via the second hyperpolarizability

Guillaume Le Breton , Oriane Bonhomme , Emmanuel Benichou , Claire Loison
Physical Chemistry Chemical Physics, 2022, 24 (32), pp.19463 - 19472. ⟨10.1039/d2cp00803c⟩
Article dans une revue hal-03842643 v1
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Visualizing the transiently populated closed-state of human HSP90 ATP binding domain

Faustine Henot , Elisa Rioual , Adrien Favier , Pavel Macek , Elodie Crublet et al.
Nature Communications, 2022, 13 (1), pp.7601. ⟨10.1038/s41467-022-35399-8⟩
Article dans une revue hal-04025433 v1
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Rheology of sliding leaflets in coarse-grained DSPC lipid bilayers

Othmene Benazieb , Claire Loison , Fabrice Thalmann
Physical Review E , 2021, 104 (5), pp.054802. ⟨10.1103/PhysRevE.104.054802⟩
Article dans une revue hal-03016981 v1
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First hyperpolarizability of water at the air–vapor interface: a QM/MM study questions standard experimental approximations

Guillaume Le Breton , Oriane Bonhomme , Pierre-François Brevet , Emmanuel Benichou , Claire Loison
Physical Chemistry Chemical Physics, 2021, 23 (43), pp.24932-24941. ⟨10.1039/D1CP02258J⟩
Article dans une revue hal-03428115 v1
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Coarse-Grain Simulations of Solid Supported Lipid Bilayers with Varying Hydration Levels

Florian Benedetti , Li Fu , Fabrice Thalmann , Thierry Charitat , Anne Rubin et al.
Journal of Physical Chemistry B, 2020, 124 (38), pp.8287-8298. ⟨10.1021/acs.jpcb.0c03913⟩
Article dans une revue hal-02973275 v1
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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

Florian Benedetti , Claire Loison
Computer Physics Communications, 2018, 228, pp.146-151. ⟨10.1016/j.cpc.2018.02.003⟩
Article dans une revue hal-02309299 v1
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Anomeric memory of the glycosidic bond upon fragmentation and its consequences for carbohydrate sequencing

Baptiste Schindler , Loïc Barnes , Gina Renois , Christopher Gray , Stéphane Chambert et al.
Nature Communications, 2017, 8 (1), pp.973. ⟨10.1038/s41467-017-01179-y⟩
Article dans une revue hal-01673946 v1
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Molecular electrometer and binding of cations to phospholipid bilayers

Andrea Catte , Mykhailo Girych , Matti Javanainen , Claire Loison , Josef Melcr et al.
Physical Chemistry Chemical Physics, 2016, 18, pp.32560-32569. ⟨10.1039/c6cp04883h⟩
Article dans une revue hal-02303912 v1

Mixed Mechanism of Lubrication by Lipid Bilayer Stacks.

Alexandru Botan , Laurent Joly , Nicolas Fillot , Claire Loison
Langmuir, 2015, 31 (44), pp.12197-202. ⟨10.1021/acs.langmuir.5b02786⟩
Article dans une revue hal-02308161 v1

Toward Atomistic Resolution Structure of Phosphatidylcholine Headgroup and Glycerol Backbone at Different Ambient Conditions

Alexandru Botan , Fernando Favela-Rosales , Patrick F. J. Fuchs , Matti Javanainen , Matej Kanduc et al.
Journal of Physical Chemistry B, 2015, 119 (49), pp.15075-15088. ⟨10.1021/acs.jpcb.5b04878⟩
Article dans une revue hal-02308166 v1

Optical Properties of Prodigiosin and Obatoclax. Action Spectroscopy and Theoretical Calculations

Evangeline Drink , Elise Dumont , Nils Aronssohn , Philippe Dugourd , Rodolphe Antoine et al.
Physical Chemistry Chemical Physics, 2015, http://pubs.rsc.org/en/content/articlelanding/2015/cp/c5cp01498k#!divAbstract. ⟨10.1039/C5CP01498K⟩
Article dans une revue hal-01160097 v1

Interleaflet sliding in Lipidic Bilayers under Shear Flow: Comparison of the Gel and Fluid Phases using Reversed Non-Equilibrium Molecular Dynamics Simulations.

Kerstin Falk , Nicolas Fillot , Ana-Maria Sfarghiu , Yves Berthier , Claire Loison
Physical Chemistry Chemical Physics, 2014, 16 (5), pp.2154-66. ⟨10.1039/c3cp53238k⟩
Article dans une revue hal-00934316 v1

Multi-scale modeling of mycosubtilin lipopeptides at the air/water interface: structure and optical second harmonic generation

Claire Loison , Mehmet Nail Nasir , Emmanuel Benichou , Françoise Besson , Pierre-François Brevet
Physical Chemistry Chemical Physics, 2014, 16 (5), pp.2136-2148. ⟨10.1039/c3cp53101e⟩
Article dans une revue hal-01142523 v1

Influence of the tyrosine environment on the second harmonic generation of iturinic antimicrobial lipopeptides at the air-water interface.

Mehmet Nail Nasir , Emmanuel Benichou , Claire Loison , Isabelle Russier-Antoine , Françoise Besson et al.
Physical Chemistry Chemical Physics, 2013, 15 (45), pp.19919-24. ⟨10.1039/c3cp53098a⟩
Article dans une revue hal-00917880 v1

Optical properties of a visible push-pull chromophore covalently bound to carbohydrates: solution and gas-phase spectroscopy combined to theoretical Investigations

Quentin Enjalbert , Amandine Racaud , Jérôme Lemoine , Sébastien Redon , Mehmet Menaf Ayhan et al.
Journal of Physical Chemistry B, 2012, 116 (2), pp.841-851. ⟨10.1021/jp2099015⟩
Article dans une revue hal-00875784 v1

Microsolvation Effects on the Optical Properties of Crystal Violet

Claire Loison , Rodolphe Antoine , Michel Broyer , Philippe Dugourd , Julien Guthmuller et al.
Chemistry - A European Journal, 2008, 14 (24), pp.7351-7357. ⟨10.1002/chem.200800547⟩
Article dans une revue istex hal-03368134 v1