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09:00 - 09:30
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Café de bienvenu |
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09:30 - 09:45
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Introduction |
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09:45 - 10:05
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AI-Driven Computational Insights into KV10.1 Channels in Breast Cancer: Electrophysiological Mechanisms, Machine Learning Analysis, and Therapeutic Prospects - C. Mahapatra |
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10:05 - 10:25
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Cross-Genotype Comparison of HEV pORF1 Domain Architecture: Insights from AlphaFold Modeling - T. Tubiana |
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10:25 - 10:45
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The opportunities and limitations of AlphaFold to model allosteric proteins: A case study on P2X receptors - A. Taly |
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10:45 - 11:15
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Pause café et posters |
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11:15 - 11:45
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Peut-on tenir compte de la membrane dans le calcul des modes normaux d'une protéine membranaire ? - L. Mouawad |
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11:45 - 12:05
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High-Pressure Response of the Coupled Dynamics of Lipids and Membrane Protein in Infinite Bilayer and Nanodisc - Y. Gautier |
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12:05 - 12:25
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Challenging protein/lipid foce fields: binding of the cell penetrating peptide penetratin on lipid membranes of different composition - M. Zygadlo |
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12:25 - 12:45
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Experimental and computational study of the protein-membrane interaction of the proposed N-terminal HEV ORF1 domain MetY - G. Vanegas Arias |
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12:45 - 14:10
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Déjeuner et posters |
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14:10 - 14:30
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Exploring conformational features on protein cages by computational simulations - D. Gauto |
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14:30 - 14:50
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Molecular mechanism of latent allostery in DHFR - P. Guénon |
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14:50 - 15:10
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Disorder characterisation of an intrinsically disordered protein (IDP), human endosulfatase 2 (HSULF2) - J. Tao |
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15:10 - 15:30
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Des3PI: a Computational Fragment-based Approach to Design Peptides Targeting Protein-Protein Interactions - M. Delaunay |
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15:30 - 16:00
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Pause café et posters |
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16:00 - 16:20
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Statistical Molecular Interaction Fields for protein and RNA binding pockets' characterization - D. Barquero Morera |
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16:20 - 16:40
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Structural biology of single-stranded, positive-sense RNA viruses using AlphaFold: Enter RNA - S. Bressanelli |
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16:40 - 17:00
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Molecular modeling of the intrinsically disordered protein TDP43 interacting with RNA GU6 - Z. Feng |
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17:00 - 17:20
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Coarse-grained molecular dynamics simulation of liquid-liquid phase separation of intrinsically disordered proteins - Y. Jiang |
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17:20 - 17:30
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Conclusion |
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