Wong H., Crowet J-M., Dauchez M., Ricard-Blum S., Baud S., Belloy N. Multiscale Modelling of the Extracellular Matrix, Matrix Biology Plus, 2021

Crampon K., Giorkallos A., Deldossi M., Baud S., Steffenel A. Machine learning methods for ligand-protein molecular docking. Drug Discovery Today, accepted 15/09/2021

Dauvé J., Belloy N., Rivet R., Etique N., Nizet P., Pietraszek-Gremplewicz K., Karamanou K., Dauchez M., Ramont L., Brézillon S., Baud S. Differential MMP-14 targeting by lumican derived peptide unraveled by in silico approach. Cancers, 13(19), 4930, 2021

Darme P., Dauchez M., Renard A., Voutquenne-Nazabadioko L. Aubert D., Escotte-Binet S., Renault J.H., Villena I., Steffenel L.A., Baud S. AMIDE V2: High-througput screening based on Autodock-GPU and improved workflow leading to better performance and reliability. International Journal of Molecular Sciences, 22(14), 7489, 2021

Ben Zemzem A., Genevaux A., Wahart A., Bodey A.J., Blaise S., Romier-Crouzet B., Jonquet J., Bour C., Cogranne R., Beauseroy P., Dauchez M., Sherratt M.J., Debelle L., Almagro S. X-ray microtomography reveals a lattice-like network within aortic elastic lamellae. FASEB J., sous presse, 2021

Rao R.M., Wong H., Dauchez M. , Baud S. Effects of changes in glycan composition on glycoprotein dynamics: example of N-glycans on insulin receptor. Glycobiology, 31(9), 1121-1133, 2021

Alwan A., Cogranne R., Beauseroy P., Grall-Maës E., Belloy N., Debelle L., Baud S., Dauchez M., Almagro S. A fully automatic and efficient methodology for peptide activity identification using their 3D conformations. IEEE Access, juin 2021

Noizet M., Peltier V., Deleau H., Dauchez M., Prévost S., Jonquet-Prevoteau J. A collaborative molecular graphics tool for knowledge dissemination with augmented reality and 3D printing. Workshop on Molecular Graphics and Visual Analysis of Molecular Data (MolVA – Eurographics), 2021

Gallos A., Crowet J.M., Michely L., Raghuwanshi V., Mention M., Langlois V., Garnier G., Dauchez, M., Allais F. Blending ferulic acid derivatives and polylactic acid into biobased and transparent elastomeric materials with shape memory properties. Biomacromolecules, 22 (4), 1568-1578, 2021

Crowet J.M., Buchoux S., Belloy N., Sarrazin C., Lins L., Dauchez M. LIMONADA : a database dedicated to the simulation of biological membranes.. Journal of Computational Chemistry, 1-6, 2021

Bretaudeau C., Baud S., Dupont-Deshorgue A., Cousin R., Brassart B., Brassart-Pasco S. AG-9, an Elastin-Derived Peptide, increases in vitro oral tongue carcinoma cell invasion, through an increase in MMP2-secretion and MT1-MMP expression in a RPSA-dependent manner. Biomolecules, 11, E39, 2021



Albrecht C., Kuznetsov A.S., Appert-Collin A., Dhaideh Z., Callewaert M., Bershatsky Y.V, Urban A.S., Bocharov E.V., Bagnard D., Baud S., Blaise S., Romier-Crouzet B., Efremov R.G.E., Dauchez M., Duca L., Gueroult M., Maurice P., Bennasroune A. Transmembrane peptides as a new strategy to inhibit neuraminidase-1 activation. Frontiers in Cell and Developmental Biology, 8, 611121, 2020

Vautrin-Glabik A., Devy J., Bour C., Baud S., Choulier L, Hoarau A., Dupont-Deshorgue A., Sellier A., Brassart B., Oudart J.B., Ramont L., Monboisse J.C., Brassart-Pasco S. Angiogenesis inhibition by a short 13 amino acid peptide sequence of Tetrastatin, the 4(IV) NC1 domain of collagen IV. Frontiers in Cell and Developmental Biology, 8, 1-12, 2020

Hernandez B., Crowet J.M., Thiery J., Kruglik S.G., Belloy N., Baud S., Dauchez M., Debelle L. Structural analysis of nonapeptides derived from elastin. Biophysical Journal, 118, 2755-2768, 2020

Besançon C, Wong H, Rao R, Dauchez M, Belloy N, Prévoteau-Jonquet J, Baud S. Improved Umbrella Visualization implemented in UnityMol gives valuable insight on sugar/protein interplay. Workshop on Molecular Graphics and Visual Analysis of Molecular Data (MolVA), 2020

Besançon C, Guillot A, Blaise S, Dauchez M, Belloy N, Prevoteau-Jonquet J, Baud S.  Umbrella Visualization: a method of analysis dedicated to glycan flexibility with UnityMol. Methods, 173, 94-104, 2020


Fuselier C, Terryn C, Berquand A, Crowet J-M, Bonnomet A, Molinari M, Dauchez M, Martiny L, Schneider C. Low-diluted Phenacetinum disrupted the melanoma cancer cell migration. Scientific Reports, 9 (1) ; 2019

Monnier N, Furlan A, Buchoux S, Deleu M, Dauchez M, Rippa S, Sarazin C. Exploring the Dual Interaction of Natural Rhamnolipids with Plant and Fungal Biomimetic Plasma Membranes through Biophysical Studies. International Journal of Molecular Sciences, MDPI, 20 (5), pp.1009; 2019

Vallet S, Guéroult M, Belloy N, Dauchez M, Ricard-Blum S. A Three-Dimensional Model of Human Lysyl Oxidase, a Cross-Linking Enzyme.ACS Omega, ACS Publications, 4 (5), pp.8495-8505 ; 2019


Besançon C, Guillot A, Blaise S, Dauchez M, Belloy N, Prevoteau-Jonquet J, Baud S. New visualization of dynamical flexibility of N-Glycans: Umbrella Visualization in UnityMol. 2018 IEEE International Conference on Bioinformatics and Biomedicine (BIBM), Madrid. Dec 2018; pp.291-298

Salesse S, Odoul L, Chazée L, Garbar C, Duca L, Martiny L, Mahmoudi R, Debelle L. Elastin molecular aging promotes MDA‐MB‐231 breast cancer cell invasiveness. FEBS openbio. 2018; 8(9): 1395-1404

Romier B, Ivaldi C, Sartelet H, Heinz A, Schmelzer CEH, Garnotel R, Guillot A, Jonquet J, Bertin E, Guéant JL, Alberto JM, Bronowicki JP, Amoyel J, Hocine T, Duca L, Maurice P, Bennasroune A, Martiny L, Debelle L, Durlach V, Blaise S. Production of Elastin-Derived Peptides Contributes to the Development of Nonalcoholic Steatohepatitis. Diabetes. 2018; 67(8): 1604-1615

Karamanos N K, Piperigkou Z, Theocharis A, Watanabe H, Franchi M, Baud S, Brézillon S, Götte M, Passi A, Vigetti D, Ricard-Blum S, Sanderson R D, Neill T, Iozzo R V. Proteoglycan chemical diversity drives multifunctional cell regulation and therapeutics. Chemical Reviews, 118(18), 9152-9232, 2018

Wong H, Prevoteau-Jonquet J, Baud S, Dauchez M, Belloy N. Mesoscopic Rigid Body Modelling of the Extracellular Matrix Self-Assembly. Journal of Integrative Bioinformatics, IMBio e.V., 2018

Alwan A, Cogranne R, Beauseroy P, Grall-Maës E, Debelle L, Belloy N, Baud S, Dauchez M, Almagro S. An efficient statistical methodology for peptide 3D structure clustering. IEEE 4th Middle East Conference on Biomedical Engineering (MECBME), IEEE Xplore, 78-83, 2018

Hernández B, Tinacci L, Coïc C, Chenal A, Cohen R, Sanchez Cortés S, Ghomi M. Tryptophan Tight Binding to Gold Nanoparticles Induces Drastic Changes in Indole Ring Raman Markers. The Journal of Physical Chemistry C, 122, 13034–13046, (2018)

Lambert E, Fuselier E, Ramont L, Brassart B, Dukic S, Oudart J B, Dupont-Deshorgue A, Sellier C, Machado C, Dauchez M, Monboisse J C, Maquart F X, Baud S, Brassart-Pasco S. The conformation-dependent binding of a 13 amino-acid peptide from Tetrastatin to αvβ3 integrin decreases melanoma progression through FAK/PI3K/Akt pathway inhibition. Scientific Reports, 8:9837, 2018

O’Brien P, Perez A C S, Karst J, Cannella S E, Enguéné V Y N, Hessel A, Raoux-Barbot D, Voegele A, Subrini O, Davi M, Guijarro J I, Raynal B, Baron B, England P, Hernández B, Ghomi M, Hourdel V, Malosse C, Chamot-Rooke J, Vachette P, Durand D, Brier S, Ladant D, Chenal A Calcium-dependent disorder-to-order transitions are central to the secretion and folding of the CyaA toxin of Bordetella pertussis, the causative agent of whooping cough. Toxicon 2018

Brusa C, Belloy N, Muzard M, Dauchez M, Plantier-Royon R, Remond C. Exploring the aglycone subsite of a GH11 xylanase for the synthesis of xylosides by transglycosylation reactions. Journal of Biotechnology, 272-273, 56-63, 2018

Taleb Bendiab W, Benomrane B, Bounaceur B, Dauchez M, Krallafa A M. Structure and dynamics of the peptide strand KRFK from the thrombospondin TSP-1 in water. Journal of Molecular Modeling, 24:54, 2018


Verzeaux L, Belloy N, Thevenard-Devy J, Ferracci G, Martiny L, Dedieu S, Dauchez M, Emonard H, Etique N, Devarenne-Charpentier E. Intrinsic dynamics study identifies two amino acids of TIMP-1 critical for its LRP-1-mediated endocytosis in neurons. Scientific Reports, 7:5135, 2017

Hernández B, Pflüger F, Dauchez M, Ghomi M. Privileged hydration sites in aromatic side chains: effect on conformational equilibrium. Physical Chemistry Chemical Physics, 19(42):28684-28695, 2017

Hernández B, Houzé P, Pflüger F, Kruglik S G, Ghomi M. Raman scattering-based multiconformational analysis for probing the structural differences between acetylcholine and acetylthiocholine. Journal of Pharmaceutical and Biomedical Analysis, 138:54-62, 2017

López-Tobar E, Hernández B, Chenal A, Coïc Y M, Gómez Santos J, Mejía-Ospino E, Garcia-Ramos J V, Ghomi M, Sanchez-Cortes S. Large size citrate-reduced gold colloids appear as optimal SERS substrates for cationic peptides. Journal of Raman Spectroscopy, 48, 30-37, 2017

Pietraszeck-Gremplewicz K, Karamanou K, Niang A, Dauchez M, Belloy N, Maquart F X, Baud S, Brezillon S. Small leucine-rich proteoglycans and matrix metalloproteinase-14: key partners? Matrix Biology, S0945-053(17)30259-7, 2017

Gerard D, Gueroult M, Casas L, Condoret J S, Andre I, Duquesne S, Marty A. Efficient resolution of profen ethyl ester racemates by engineered Yarrowia lipolytica Lip2p lipase. Tetrahedron: Asymmetry, 28 (3), 433-441, 2017

Rigouin C, Gueroult M, Croux C, Dubois G, Borsenberger V, Barbe S, Marty A, Daboussi F, André I, Bordes F. Production of medium chain fatty acids by Yarrowia lipolytica: combining molecular design and TALEN to engineer the fatty acid synthase. ACS Synthetic Biology, 20:1870-1879, 2017

Theret L, Jeanne A, Langlois B, Hachet C, David M, Khrestchatisky M, Devy J, Emonard H, Almagro S, Dedieu S. Identification of LRP-1 as an endocytosis and recycling receptor for β1-integrin in thyroid cancer cells. Oncotarget, 8:78614-78632, 2017


Maurice P, Baud S, Bocharova OV, Bocharov EV, Kuznetsov AS, Kawecki C, Bocquet O, Romier B, Gorisse L, Ghirardi M, Duca L, Blaise S, Martiny L, Dauchez M, Efremov RG, Debelle L. New insights into molecular organization of human Neuraminidase-1: transmembrane topology and dimerization ability. Scientific Reports, 6: 38363; 2016

Guillot A, Dauchez M, Belloy N, Prévoteau-Jonquet J, Duca L, Romier B, Maurice P, Debelle L, Martiny L, Durlach V, Baud S, Blaise S. Impact of sialic acids on the molecular dynamic of bi-antennary and tri-antennary glycansScientific Reports, 6: 35666; 2016

Hernández B, Coïc Y M, Pflüger F, Kruglik S G, Ghomi M. All characteristic Raman markers of tyrosine and tyrosinate originate from phenol ring fundamental vibrations. Journal of Raman Spectroscopy, 47, 210–220; 2016

Hernández B, López-Tobar E, Sanchez-Cortes S, Coïc Y M, Baron B, Chenal A, Kruglik S G, Pflüger F, Cohen R, Ghomi M. From bulk to plasmonic nanoparticle surfaces: the behavior of two potent therapeutic peptides, octreotide and pasireotide. Physical Chemistry Chemical Physics, 18, 24437-24450 ; 2016

Voir aussi dans «Modélisation et Imagerie Multi-Echelle»

Organigramme Présentation des activités de l’équipe en images