BELGHIT Hayet, DAUCHEZ Manuel, CHAVENT Matthieu, JONQUET-PREVOTEAU Jessica Dy-Bendix: Visual Analysis approach of α helices molecular dynamics simulations, J.FIG, 2023

DEPENVEILLER Camille, WONG Hua, CROWET Jean-Marc, DEBELLE Laurent, BAUD Stéphanie, DAUCHEZ Manuel, BELLOY Nicolas Challenging Level of Rigid-body Approach Involving Numerical Elements (CHLORAINE) applied to repeated elastin peptides, Journal of Structural Biology, 2023

CRAMPON Kévin, GIORKALLOS Alexis, VIGOUROUX Xavier, BAUD Stéphanie, STEFFENEL Angelo Heterogeneous Graph Convolutional Neural Network for Protein-Ligand Scoring, Explor Drug Sci., 2023

RAO Rajas, BELLOY Nicolas, CROWET Jean-Marc, DAUCHEZ Manuel, BAUD Stéphanie Modeling and numerical simulations of extracellular glycoproteins, Methods Mol Biol., 2023

VERZEAUX Laurie, RAO Rajas, VYUMVVUHORE Raoul, BELLOY Nicolas, AYMARD Elodie, BAUD Stéphanie, MANFAIT Michel, DAUCHEZ Manuel, CLOSS Brigitte Highlighting the hydroscopic capacities of apiogalacturonans, Journal of Molecular Graphics and Modelling, 2023

RIVET Romain, RAO Rajas M, NIZET Pierre, BELLOY Nicolas, HUBER Louise, DAUCHEZ Manuel, RAMONT Laurent, BAUD Stéphanie, BRÉZILLON Stéphane Differential MMP-14 Targeting by Biglycan, Decorin, Fibromodulin and Lumican Unraveled by In Silico Approach, Am J Physiol Cell Physiology, 2023

CRAMPON Kévin, GIORKALLOS Alexis, BAUD Stéphanie, STEFFENEL Angelo Convolutional Graph Neural Network training scalability for molecular docking, 31st Euromicro International Conference on Parallel, Distributed, and Network-Based Processing (PDP 2023), 2023


LIANG Xiaowen, BEN ZEMZEM Aïcha, ALMAGRO Sébastien, BOISSON Jean-Charles, STEFFENEL Luiz-Angelo, WEITKAMP Timm, DEBELLE Laurent, PASSAT Nicolas Mouse arterial wall imaging and analysis from synchrotron x-ray microtomography, IEEE International Conference in Image Processing (ICIP 2022), 2022

BEN ZEMZEM Aïcha, LIANG Xiaowen, VANALDERWIERT Laetitia, BOUR Camille, ROMIER-CROUZET, BLAISE Sébastien, SHERRATT Michael J, WEITKAMP Timm, DAUCHEZ Manuel, BAUD Stéphanie, PASSAT Nicolas, DEBELLE Laurent, ALMAGRO Sébastien Early alterations of intra-mural elastic lamellae revealed by synchrotron X-ray micro-CT exploration of diabetic aortas, Int J Mol Sci., 2022

RAO Rajas M, DAUCHEZ Manuel, BAUD Stéphanie How molecular modelling can better broaden the understanding of glycosylations, Current Opinion in Structural Biology, 2022

DARME Pierre, ESCOTTE-BINET Sandie, CORDONNIER Julien, HUBERT Jane, SAYAGH Charlotte, BORIE Nicolas, VILLENA Isabelle, VOUTQUENNE-NAZABADIOKO Laurence, DAUCHEZ Manuel, BAUD Stéphanie, RENAULT Jean-Hugues, AUBERT Dominique Anti-Toxoplasma gondii effect of lupane-type triterpene from the bark of Alnus glutinosa and identification of potential target by reverse docking, Parasite, 2022

JARIWALA Nathan, OZOLS Matiss, BELL Mike, BRADLEY Eleanore, GILMORE Andrew, DEBELLE Laurent, SHERRATT Michael J. Matrikines as mediators of tissue remodelling, Adv Drug Deliv Rev, 2022


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


Voir aussi dans «Modélisation et Imagerie Multi-Echelle»

Organigramme Présentation des activités de l’équipe en images