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Marie Brut
Marie Brut
LAAS-CNRS
Email confirmado em laas.fr
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Dioxygen molecule adsorption and oxygen atom diffusion on clean and defective aluminum (111) surface using first principles calculations
M Guiltat, M Brut, S Vizzini, A Hémeryck
Surface Science 657, 79-89, 2017
182017
Spatial analysis of nanofluidic-embedded biosensors for wash-free single-nucleotide difference discrimination
J Cacheux, M Brut, A Bancaud, P Cordelier, T Leichle
ACS sensors 3 (3), 606-611, 2018
162018
Binding modes of thrombin binding aptamers investigated by simulations and experiments
A Trapaidze, A Bancaud, M Brut
Applied Physics Letters 106 (4), 2015
152015
A new insight into the understanding of the collapsed form of poly (N-isopropylacrylamide) molecules
A Esteve, A Bail, G Landa, A Dkhissi, M Brut, MD Rouhani, J Sudor, ...
Chemical Physics 340 (1-3), 12-16, 2007
152007
Water distribution within wild-type NRas protein and Q61 mutants during unrestrained QM/MM dynamics
RH Tichauer, G Favre, S Cabantous, G Landa, A Hemeryck, M Brut
Biophysical journal 115 (8), 1417-1430, 2018
132018
The Static Modes: An alternative approach for the treatment of macro-and bio-molecular induced-fit flexibility
M Brut, A Estève, G Landa, G Renvez, M Djafari Rouhani
The European Physical Journal E 28, 17-25, 2009
132009
Bringing aptamers into technologies: Impact of spacer terminations
M Brut, A Trapaidze, A Estève, A Bancaud, D Estève, G Landa, ...
Applied Physics Letters 100 (16), 2012
82012
Atomic scale determination of enzyme flexibility and active site stability through static modes: case of dihydrofolate reductase
M Brut, A Esteve, G Landa, G Renvez, M Djafari Rouhani, M Vaisset
The Journal of Physical Chemistry B 115 (7), 1616-1622, 2011
72011
Nouvelle approche méthodologique pour la prise en compte de la flexibilité dans les interactions entre molecules biologiques: les Modes Statiques
M Brut
Université Paul Sabatier-Toulouse III, 2009
72009
Hybrid QM/MM vs Pure MM Molecular Dynamics for Evaluating Water Distribution within p21N-ras and the Resulting GTP Electronic Density
RH Tichauer, G Favre, S Cabantous, M Brut
The Journal of Physical Chemistry B 123 (18), 3935-3944, 2019
62019
Unraveling the cGAS catalytic mechanism upon DNA activation through molecular dynamics simulations
J Soler, P Paiva, MJ Ramos, PA Fernandes, M Brut
Physical Chemistry Chemical Physics 23 (15), 9524-9531, 2021
42021
Toward in silico biomolecular manipulation through static modes: atomic scale characterization of HIV-1 protease flexibility
M Brut, A Estève, G Landa, M Djafari Rouhani
The Journal of Physical Chemistry B 118 (11), 2821-2830, 2014
42014
Deformation of thiolated nucleic acid deposited on a silicon surface: A Static Mode approach
M Brut, A Estève, G Landa, G Renvez, MD Rouhani, M Vaisset, ...
Materials Science and Engineering: B 169 (1-3), 23-27, 2010
42010
Atomic-scale determination of DNA conformational response to strained furanose: a static mode approach
M Brut, A Esteve, G Landa, A Dkhissi, G Renvez, MD Rouhani, ...
Tetrahedron 66 (47), 9123-9128, 2010
32010
Modeling of the interface formation during CuO deposition on Al (111) substrate: linking material design and elaboration process parameters through multi-levels approach
M Guiltat, N Salles, M Brut, G Landa, N Richard, S Vizzini, A Hémeryck
Modelling and Simulation in Materials Science and Engineering 25 (6), 064005, 2017
22017
Mimicking DNA stretching with the Static Mode method: Shear stress versus transverse pulling stress
M Brut, A Estève, G Landa, M Djafari Rouhani
The European Physical Journal E 35, 1-9, 2012
22012
The electrostatic probe: a tool for the investigation of the Aβ (1–16) peptide deformations using the static modes
G Renvez, A Esteve, G Landa, M Brut, M Djafari-Rouhani, A Dkhissi
Physical Chemistry Chemical Physics 13 (32), 14611-14616, 2011
22011
Laboratoire sur puce intégrant préparation d’échantillon et détection de biomarqueurs cancéreux dans le plasma sanguin 6
R Malbec, P Joseph, T Leichlé, M Brut, P Cordelier, A Bancaud
12016
Caractériser les cinétiques des diffusions atomiques-ART: l’explorateur de surfaces d’énergie potentielle
A Jay, N Mousseau, N Salles, M Gunde, M Poberžnik, M Brut, ...
Les Techniques de l'Ingenieur, 2023
2023
Présentation du GIP-CNFM-CIME Nanotech
A Aitoumeri
Abdelhamid Aitoumeri, 2023
2023
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