Profil
Nom:
LOISON Claire
Equipe(s):
- Physicochimie théorique
Position:
Chercheur
Bureau(x):
- BRILLOUIN / 2ème / 12-002b
Mel:
claire.loison@univ-lyon1.fr
Tél(s):
- 0472448314
Microscopic view on the polarization-resolved S-SHG intensity of the vapor/liquid interface of pure water
The Journal of Chemical Physics, vol. 161, p154712
(2024)
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
The Journal of Chemical Physics, vol. 160, p194103
(2024)
Inviting C5-Trifluoromethylated Pseudoprolines into Collagen Mimetic Peptides
Biomacromolecules, vol. 24, p1555-1562
(2023)
Liquid Water: When Hyperpolarizability Fluctuations Boost and Reshape the Second Harmonic Scattering Intensities
Journal of Physical Chemistry Letters, vol. 14, p4158-4163
(2023)
First hyperpolarizability of water in bulk liquid phase: long-range electrostatic effects included via the second hyperpolarizability
Physical Chemistry Chemical Physics, vol. 24, p19463 - 19472
(2022)
Visualizing the transiently populated closed-state of human HSP90 ATP binding domain
(2022)
Visualizing the transiently populated closed-state of human HSP90 ATP binding domain
Nature Communications, vol. 13, p7601
(2022)
Inviting Trifluoromethylated Pseudoprolines into Collagen Model Peptides
(2022)
Rheology of sliding leaflets in coarse-grained DSPC lipid bilayers
Physical Review E, vol. 104, p054802
(2021)
First hyperpolarizability of water at the air–vapor interface: a QM/MM study questions standard experimental approximations
Physical Chemistry Chemical Physics, vol. 23, p24932-24941
(2021)
Coarse-Grain Simulations of Solid Supported Lipid Bilayers with Varying Hydration Levels
Journal of Physical Chemistry B, vol. 124, p8287-8298
(2020)
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, vol. 228, p146-151
(2018)
New insights into the structural and dynamics properties of collagen model peptides using CD spectroscopy, MD simulations and innovative NMR approaches
, p192-194
(2018)
Anomeric memory of the glycosidic bond upon fragmentation and its consequences for carbohydrate sequencing
Nature Communications, vol. 8, p973
(2017)
Molecular electrometer and binding of cations to phospholipid bilayers
Physical Chemistry Chemical Physics, vol. 18, p32560-32569
(2016)
Mixed Mechanism of Lubrication by Lipid Bilayer Stacks.
Langmuir, vol. 31, p12197-202
(2015)
Toward Atomistic Resolution Structure of Phosphatidylcholine Headgroup and Glycerol Backbone at Different Ambient Conditions
Journal of Physical Chemistry B, vol. 119, p15075-15088
(2015)
Optical Properties of Prodigiosin and Obatoclax. Action Spectroscopy and Theoretical Calculations
Physical Chemistry Chemical Physics, phttp://pubs.rsc.org/en/content/articlelanding/2015/cp/c5cp01498k#!divAbstract
(2015)
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, vol. 16, p2154-66
(2014)
Multi-scale modeling of mycosubtilin lipopeptides at the air/water interface: structure and optical second harmonic generation
Physical Chemistry Chemical Physics, vol. 16, p2136-2148
(2014)