› Advanced molecular dynamics simulations and AI for investigating and modulating ABC transporters - Ahmad ELBAHNSI, Inserm U1268 MCTR, CiTCoM UMR 8038 CNRS
09:00-09:15 (15min)
› A Single Framework to Accurately Predict Multiple Impact of Genetic Variants - Ragousandirane Radjasandirane, Université Paris Cité, BIGR, DSIMB Bioinformatics team
09:15-09:30 (15min)
› Molecular modelling of an intrinsically disordered protein (IDP), human endosulfatase 2 (HSULF2) - Jianjun TAO, LAMBE, Université d'Evry
09:30-09:45 (15min)
› Study of the Interaction Between MSMP and CCR2 Proteins using molecular dynamic simulations and machine learning - Léopold Quitté, GHU AP-HP Nord - Université Paris Cité, Centre Hospitalier Université Laval [Quebec]
09:45-10:00 (15min)
› In sillico studies of a membrane transporter involved in antibiotic resensitization - Côme Ghadi, UR 4258 CERMN, Centre d'Etudes et de Recherche sur le Médicament de Normandie
11:15-11:30 (15min)
› UnityMol-Lite: Cross-platform Collaboration and Interactive Methods for Molecular Modeling in Extended Reality - Mariano Spivak, Virtual & augmented ENvIronments for Simulation & Experiments - LISN, Laboratoire de Biochimie Théorique - Institut de Biologie Physico-Chimique
11:30-11:45 (15min)
› Unveiling G-Protein-Coupled Receptor Conformational Dynamics via Metadynamics Simulations and Markov State Models - Rita Ann Roessner, University of Montpellier
11:45-12:00 (15min)
›12:00 (20min)
Invited 3 : Nathalie Lagarde Targeting IL-4/IL-13 Protein-Protein Interactions to Develop Small-Molecule Therapies for Asthma
12:00 - 12:20 (20min)
Invited 3 : Nathalie Lagarde
Targeting IL-4/IL-13 Protein-Protein Interactions to Develop Small-Molecule Therapies for Asthma
› ComPASS, an efficient method to reveal communication pathways within protein-nucleic acid complexes - Yasaman Karami, Laboratoire Lorrain de Recherche en Informatique et ses Applications
14:00-14:15 (15min)
› Designing of novel broad spectrum antivirals - Marc Farag, Institut de Chimie Organique et Analytique
14:15-14:30 (15min)
› TNFα:TNFR1 complex in a membrane context: structural and functional insights - Elena Álvarez Sánchez, Unité en Sciences Biologiques et Biotechnologies de Nantes
14:30-14:45 (15min)
› Efficient compound selection strategies in lead optimization: insights from retrospective analysis - Pablo Mas, PASTEUR Lab, Sanofi-aventis recherche et développement, Integrated Drug Discovery, Molecular Design Sciences
14:45-15:00 (15min)
› Auto-Martini Update for Martini 3: Still Fast and Furious, Now More Accurate and Versatile - Magdalena Szczuka, Centre de Biologie Intégrative, Université de Toulouse, Eurofins Calixar
15:45-16:00 (15min)
› Bayesian Analysis of Constant pH MD and Protonation Couplings - Eliane Briand, Max Planck Institute for Multidisciplinary Sciences
16:30-16:45 (15min)
› HADDOCK3, a modular platform for biomolecular integrative modelling - Raphaëlle Versini, Utrecht University
16:45-17:00 (15min)
› Water Molecules as Molecular Probes: Understanding and Reshaping Enzyme Interiors - Gamze Tanriver, Tunneling Group, Biotechnology Centre, Silesian University of Technology
17:30-17:45 (15min)
› Unraveling the Impact of Cofactors on the Dynamics of BVMO enzymes. - Joseph REBEHMED, Department of Computer Science and Mathematics, Lebanese American University
17:45-18:00 (15min)
› Structure resolution of glucose units in a heparan sulfate mimetic (RGTA®) fragment by NMR and molecular dynamics simulations - Aubert De Lichy, Organ, Tissue, Regeneration, Repair, Replacement (OTR3), Université Paris Est Créteil (UPEC), Glycobiology, Cell Growth and Tissue Repair Research Unit (Gly-CRRET)
18:15-18:30 (15min)
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