Nombre de documents

16

Marie BRUT


My general research interests include computational structural biology and its application to SAR study, protein/DNA motion and accommodation mechanisms. Specifically, my work is currently focused on the development of new computational methodologies to promote innovative in silico experiments and their application to:
 
- structural flexibility of biomolecules and induced-fit mechanisms
  • oncoproteins as therapeutic targets
- predictive physical models for bio-hybrid materials
  • protein machines to integrate active functions
  • nucleic acids for DNA technologies 


Article dans une revue14 documents

  • Jean Cacheux, Marie Brut, Aurélien Bancaud, Pierre Cordelier, Thierry Leichle. Spatial Analysis of Nanofluidic-Embedded Biosensors for Wash-Free Single-Nucleotide Difference Discrimination. ACS Sensors, American Chemical Society, 2018, 3 (3), pp.606 - 611. 〈10.1021/acssensors.7b00667〉. 〈hal-01762631〉
  • Mathilde Guiltat, Marie Brut, Sébastien Vizzini, Anne Hémeryck. Dioxygen molecule adsorption and oxygen atom diffusion on clean and defective Aluminum (111) surface using first principles calculations. Surface Science, Elsevier, 2017, 657, pp.79-89. 〈10.1016/j.susc.2016.11.010〉. 〈hal-01407658〉
  • Mathilde Guiltat, Nicolas Salles, Marie Brut, Georges Landa, Nicolas Richard, et al.. 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, IOP Publishing, 2017, Focus on MMM 2016, 25 (6), pp.064005. 〈http://iopscience.iop.org/article/10.1088/1361-651X/aa7bbc/meta;jsessionid=8B76486D63ECCDCDFAEE0D5544A95821.c1.iopscience.cld.iop.org〉. 〈10.1088/1361-651X/aa7bbc〉. 〈hal-01574744〉
  • Marie Brut, Ana Trapaidze, Serge Mazères, Daniel Estève, Anne-Marie Gué, et al.. Thrombin detection in murine plasma using engineered fluorescence resonance energy transfer aptadimers. Applied Physics Letters, American Institute of Physics, 2015, 107 (23), pp.233701-1-233701-4. 〈10.1063/1.4937351〉. 〈hal-01801826〉
  • Ana Trapaidze, Aurélien Bancaud, Marie Brut. Binding modes of thrombin binding aptamers investigated by simulations and experiments. Applied Physics Letters, American Institute of Physics, 2015, 106 (4), pp.043702. 〈10.1063/1.4906594〉. 〈hal-01137420〉
  • Marie Brut, Alain Esteve, Georges Landa, Mehdi Djafari Rouhani. Toward in Silico Biomolecular Manipulation through Static Modes: Atomic Scale Characterization of HIV-1 Protease Flexibility. Journal of Physical Chemistry B, American Chemical Society, 2014, 118 (11), pp.2821-2830. 〈10.1021/jp4113156〉. 〈hal-01481802〉
  • Marie Brut, A. Trapaidze, Alain Estève, Aurélien Bancaud, D. Estève, et al.. Bringing aptamers into technologies: Impact of spacer terminations. Applied Physics Letters, American Institute of Physics, 2012, 100 (16), pp.163702. 〈10.1063/1.4704658〉. 〈hal-01801821〉
  • Marie Brut, Alain Estève, Georges Landa, Mehdi Djafari Rouhani. Mimicking DNA stretching with the Static Mode method: Shear stress versus transverse pulling stress. European Physical Journal E: Soft matter and biological physics, EDP Sciences: EPJ, 2012, 35 (8), pp.art ID 75. 〈10.1140/epje/i2012-12075-0〉. 〈hal-01801823〉
  • Guillaume Renvez, Alain Esteve, Georges Landa, Marie Brut, Mehdi Djafari-Rouhani, et al.. The electrostatic probe: a tool for the investigation of the A beta(1-16) peptide deformations using the static modes. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2011, 13 (32), pp.14611-14616. 〈10.1039/c1cp20603f〉. 〈hal-01481810〉
  • Marie Brut, Alain Esteve, Georges Landa, Guillaume Renvez, Mehdi Djafari Rouhani, et al.. Atomic Scale Determination of Enzyme Flexibility and Active Site Stability through Static Modes: Case of Dihydrofolate Reductase. Journal of Physical Chemistry B, American Chemical Society, 2011, 115 (7), pp.1616-1622. 〈10.1021/jp109874z〉. 〈hal-01481808〉
  • Marie Brut, Alain Esteve, Georges Landa, Ahmed Dkhissi, Guillaume Renvez, et al.. Atomic-scale determination of DNA conformational response to strained furanose a static mode approach. Tetrahedron, Elsevier, 2010, 66 (47), pp.9123-9128. 〈10.1016/j.tet.2010.09.083〉. 〈hal-01481815〉
  • Marie Brut, Alain Esteve, Georges Landa, Guillaume Renvez, Mehdi Djafari Rouhani, et al.. Deformation of thiolated nucleic acid deposited on a silicon surface: A Static Mode approach. Materials Science and Engineering: B, Elsevier, 2010, 169 (1-3), pp.23-27. 〈10.1016/j.mseb.2009.11.014〉. 〈hal-01481814〉
  • Marie Brut, Alain Estève, Georges Landa, Guillaume Renvez, Mehdi Djafari Rouhani. The Static Modes: An alternative approach for the treatment of macro- and bio-molecular induced-fit flexibility. European Physical Journal E: Soft matter and biological physics, EDP Sciences: EPJ, 2009, 28 (1), pp.17 - 25. 〈10.1140/epje/i2008-10397-0〉. 〈hal-01801802〉
  • Alain Esteve, Adeline Bail, Georges Landa, Ahmed Dkhissi, Marie Brut, et al.. A new insight into the understanding of poly(N-isopropylacrylamide) the collapsed form of molecules. Chemical Physics, Elsevier, 2007, 340 (1-3), pp.12-16. 〈10.1016/j.chemphys.2007.06.054〉. 〈hal-01481821〉

Communication dans un congrès1 document

  • Jean Cacheux, Marie Brut, Aurélien Bancaud, Pierre Cordelier, Thierry Leichle. RAPID DISCRIMINATION OF SINGLE-NUCLEOTIDE DIFFERENCES THROUGH THE SPATIAL ANALYSIS OF A NANOFLUIDIC-EMBEDDED BIOSENSOR. MicroTAS, Oct 2017, Savannah, United States. 2017. 〈hal-01699274〉

Thèse1 document

  • Marie Brut. Nouvelle approche méthodologique pour la prise en compte de la flexibilité dans les interactions entre molecules biologiques: les Modes Statiques. Micro et nanotechnologies/Microélectronique. Université Paul Sabatier - Toulouse III, 2009. Français. 〈tel-00377792〉