Marie Brut

Centre National de la Recherche Scientifique — France

Biochemistry, Genetics and Molecular Biology · Life Sciences

7h-index159citations32works1.02yr avg
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Research Topics

Protein Structure and Dynamics(8), Advanced biosensing and bioanalysis techniques(7), Enzyme Structure and Function(5), Health, Medicine and Society(5), Hermeneutics and Narrative Identity(5)

Publications32 total

Deciphering the Impact of Mutations on PfDHPS Active Site and Sulfadoxine Binding: Structural Insights from Molecular Dynamics Simulations
Molecules·2025· 1 citedOpen Access
Catalytic Cycle of Type II 4′-Phosphopantetheinyl Transferases
ACS Catalysis·2024· 1 citedOpen Access
Caractériser les cinétiques des diffusions atomiques - ART : l’explorateur de surfaces d’énergie potentielle
Opérations unitaires. Génie de la réaction chimique·2023Open Access
Enhancing DFT-based energy landscape exploration by coupling quantum mechanics and static modes
Physical Chemistry Chemical Physics·2022Open Access
Coupling Quantum Mechanics and Static Modes to explore the energy landscape in complex systems
HAL (Le Centre pour la Communication Scientifique Directe)·2021
Unraveling the cGAS catalytic mechanism upon DNA activation through molecular dynamics simulations
Physical Chemistry Chemical Physics·2021· 5 cited
Hybrid QM/MM vs Pure MM Molecular Dynamics for Evaluating Water Distribution within p21<sup>N-ras</sup> and the Resulting GTP Electronic Density
The Journal of Physical Chemistry B·2019· 6 cited
Water Distribution within Wild-Type NRas Protein and Q61 Mutants during Unrestrained QM/MM Dynamics
Biophysical Journal·2018· 16 citedOpen Access
Spatial Analysis of Nanofluidic-Embedded Biosensors for Wash-Free Single-Nucleotide Difference Discrimination
ACS Sensors·2018· 14 citedOpen Access
Rapid Discrimination Of Single-Nucleotide Differences Through The Spatial Analysis Of A Nanofluidic-Embedded Biosensor
HAL (Le Centre pour la Communication Scientifique Directe)·2017Open Access
Modeling of the interface formation during CuO deposition on Al(111) substrate: linking material design and elaboration process parameters through multi-levels approach
Modelling and Simulation in Materials Science and Engineering·2017· 1 citedOpen Access
Dioxygen molecule adsorption and oxygen atom diffusion on clean and defective aluminum(111) surface using first principles calculations
Surface Science·2016· 21 citedOpen Access
Thrombin detection in murine plasma using engineered fluorescence resonance energy transfer aptadimers
Applied Physics Letters·2015· 1 citedOpen Access
Binding modes of thrombin binding aptamers investigated by simulations and experiments
Applied Physics Letters·2015· 14 citedOpen Access
In silico screening of Ras mutations for structural oncology through static mode experiments
2014
Toward in Silico Biomolecular Manipulation through Static Modes: Atomic Scale Characterization of HIV-1 Protease Flexibility
Figshare·2014Open Access
Toward in Silico Biomolecular Manipulation through Static Modes: Atomic Scale Characterization of HIV-1 Protease Flexibility
The Journal of Physical Chemistry B·2014· 2 cited
Mimicking DNA stretching with the Static Mode method: Shear stress versus transverse pulling stress
The European Physical Journal E·2012· 3 cited
Bringing aptamers into technologies: Impact of spacer terminations
Applied Physics Letters·2012· 6 cited
Atomic Scale Determination of Enzyme Flexibility and Active Site Stability through Static Modes: Case of Dihydrofolate Reductase
HAL (Le Centre pour la Communication Scientifique Directe)·2011
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Frequent Co-authors

G. Landa(20), M. Djafari Rouhani(11), Alain Estève(11), Guillaume Renvez(9), Anne Hémeryck(6), A. Dkhissi(6), Aurélien Bancaud(5), Marc Vaisset(4), David Gauchard(4), Gilles Favre(3), Ana Trapaidze(3), Anne Marie Gué(3), A. Estève(3), Mathilde Guiltat(2), S. Vizzini(2), Ruth H. Tichauer(2), Stéphanie Cabantous(2), Jean Cacheux(2), Pierre Cordelier(2), Thierry Leïchlé(2)