Publications
2019
R. Tichauer, G. Favre, S. Cabantous, M. Brut. Hybrid QM/MM vs pure MM molecular dynamics for evaluating water distribution within p21N-Ras and the resulting GTP electronic density. J. Phys. ChemB 123, 3935 (2019) 
2018
R. Tichauer, G. Favre, S. Cabantous, G. Landa, A. Hémeryck, M. Brut. Water disctribution within wild type NRas protein ans Q61 mutants during unrestrained QM/MM dynamics. Biophysical Journal 115, 1417 (2018)
J. Cacheux, M. Brut, A. Bancaud, P. Cordelier, T. Leichlé. Spacial analysis of nanofluidic-embedded bio-sensors for wash-free single-nucleotide difference discrimination. ACS Sensors 3, 606 (2018)
2017
M. Guiltat, N. Salles, M. Brut, G. Landa, N. Richard, S. Vizzini, A. Hémeryck. Modeling of the interface formation during CuO deposition on Al (111) substrate: linking material design and elaboration process parameters trhough multi-levels approach. Modelling and Simulation in Materials Science and Engineering 25, 6 (2017)
M. Guiltat, M. Brut, S. Vizzini, A. Héméryck. Dioxygen molecule adsorption and oxygen atom diffusion on clean and defective Aluminium (111) surface using first principles calculations. Surface Science 657, 79 (2017)
2015
A. Trapaidze, A. Bancaud, M. Brut. Binding Modes of Thrombin Binding Aptamers Inverstigated by Simulation and Experiments. Applied Phys. Letters 106, 0437022821 (2015)
A. Trapaidze, M. Brut, S. Mazères, D. Estève, A-M. Gué, A. Bancaud. Binding detection in murine plasma using engineered fluorescence resonance energy transfer aptadimers. Applied Phys. Letters 107, 233701 (2015)
2014
M. Brut, A. Estève, G. Landa, M. Djafari Rouhani. Toward in Silico Biomolecular Manipulation through Static Modes : Atomic Scale Characterization of HIV-1 Protease Flexibility. J. Phys. Chem. B 118, 2821 (2014)
2012
M. Brut, A. Estève, G. Landa, M. Djafari Rouhani. Mimicking DNA stretching with the Static Mode method : Shear stress versus transverse pulling stress. Eur. Phys. J. E 35, 75 (2012)
M. Brut, A. Trapaidze, A. Estève, A. Bancaud, D. Estève, G. Landa, M. Djafari Rouhani. Bringing aptamers into technologies : impact of spacer terminations. Applied Phys. Lett. 100, 163702 (2012) (Selected fo the "Virtual Journal of Biological Physics Research", may 2012)
2011
M. Brut, A. Estève, G. Landa, G. Renvez, M. Djafari Rouhani. Atomic scale determination of enzyme flexibility and active site stability through Static Modes: Case of Escherichia Coli Dihydrofolate Reductase. J. Phys. Chem. B 115, 1616 (2011)
G. Renvez, A. Estève, M. Brut, G., M. Djafari Rouhani, A. Dkhissi. The electrostatic probe: a tool for the investigation of the A(1-16) peptide deformations using the Static Modes. Phys. Chem. Chem. Phys. 13, 14611 (2011)
2010
M. Brut, A. Estève, G. Landa, G. Renvez, A. Dkhissi, M. Djafari Rouhani, D. Gauchard. Atomic-scale determination of DNA conformational response to strained furanose: a Static Mode approach. Tetrahedron 66, 9123 (2010)
M. Brut, A. Estève, G. Landa, G. Renvez,M. Djafari Rouhani, D. Gauchard. Deformation of thiolated nucleic acid on deposited on a silicon surface: a Static Mode approach. Material Science and Engineering B 169, 23 (2010)
2009
M. Brut, A. Estève, G. Landa, G. Renvez, M. Djafari Rouhani. The Static Modes: An alternative approach for the treatment of macro and bio-molecular induced-fit flexibility. Eur. Phys. J. E 28, 17 (2009) (on cover)
2007
A. Estève, A. Bail, G. Landa, A. Dkhissi, M. Brut, M. Djafari Rouhani, J. Sudor, A-M. Gué. A new insight into the understanding of the collapsed form of poly(N-isopropylacrylamide) molecules. Chem. Phys. 340, 12 (2007)