BELGHIT Hayet, SPIVAK Mariano, DAUCHEZ Manuel, BAADEN Marc, JONQUET-PREVOTEAU Jessica From complex data to clear insights: visualizing molecular dynamics trajectories, Frontiers in Bioinformatics 4:1356659, 2024
DEPENVEILLER Camille, BAUD Stéphanie, BELLOY Nicolas, BOCHICCHIO Brigida, DANDURANDJany, DAUCHEZ Manuel, PEPE Antonietta, POMÈS Régis, SAMOUILLAN Valérie, DEBELLE Laurent Structural and physical basis for the elasticity of elastin, Quarterly Reviews of Biophysics 57, e3, 2024
PATUREL Vivien, BAUD Stéphanie, SCHNEIDER Christophe, BRASSART-PASCO Sylvie In silico structural modeling and analysis of physicochemical properties of antitumoral QS-13 peptide and its derivatives in water and dimethyl sulfoxide, Peptide Science e24352, 2024
GLENET Marie, LEBREIL Anne-Laure, N’GUYEN Yohan, MEYER Itah, BAUD Stephanie, ANDREOLETTI Laurent Structural impact of a new spike Y170W mutation detected in early emerging SARS-CoV-2 Omicron variants in France, Virus Research, 343, 199354, 2024
CRAMPON Kevin, BOURRASSET Cédric, BAUD Stéphanie, STEFFENEL Luiz Angelo SGPocket: A new graph convolutional neural network for ligand-protein binding site prediction, Current Medicinal Chemistry, 2024
GUILLOT Alexandre, TOUSSAINT Kevin, EBERSOLD Lucrece, ELBTAOURI Hassan, THIEBAULT Emilie, ISSAD Tarik, PERETTI Franck, MAURICE Pascal, SARTELET Hervé, BENNASROUNE Amar, MARTINY Laurent, DAUCHEZ Manuel, DUCA Laurent, ROMIER Béatrice, BAUD Stéphanie, BLAISE Sébastien Sialic acids cleavage induced by elastin‐derived peptides impairs the interaction between insulin and its receptor in adipocytes 3T3‐L1., Journal of Physiology and Biochemistry, 80(2), 363-379, 2024
2023
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
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
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