jeudi 10 juillet 2025
| Heures | événement | (+) |
| 08:45 - 09:00 | Accueil - Accueil des arrivant et café | |
| 09:00 - 10:20 | chimie | (+) |
| 09:00 - 09:40 | › Multiscale Theoretical Approaches to design Metal-Coordinated Scaffolds - Adriana Pietropaolo, University of Catanzaro | |
| 09:40 - 10:00 | › Vibrational Spectroscopy of Chromophores in Solution: a Hybrid QM/MM Dynamics Approach Enhanced by Machine Learning - Abir Kebabsa, Interfaces, Traitements, Organisation et Dynamique des Systèmes | |
| 10:00 - 10:20 | › Effects of enantiomeric excess on circular dichroism in Lead-free perovskites - Amina Alehyane, Interfaces, Traitements, Organisation et Dynamique des Systèmes, Università di Catanzaro | |
| 10:20 - 10:40 | Pause café | |
| 10:40 - 12:20 | chimie | (+) |
| 10:40 - 11:20 | › Exploring epigenetic mechanisms with all-atom MD simulations - Emmanuelle Bignon, Laboratoire de Physique et Chimie Théoriques | |
| 11:20 - 11:40 | › Regulation of TIM-3 immune response through light-activated photoswitchable lipids - Anastasiia Delova, Université Paris Cité | |
| 11:40 - 12:00 | › Recognition dynamics of olfactory receptors: a molecular-scale mapping - Yani Kedjar, Institut de Chimie de Nice | |
| 12:00 - 12:20 | › Heavy Atom Effect For Triplet Applications With Phthalocyanines - YILMAZ Dilan, ITODYS | |
| 12:20 - 13:20 | Repas | |
| 13:20 - 15:20 | chimie | (+) |
| 13:20 - 13:40 | › Impact of Ruxolitinib Interactions on JAK2 JH1 Domain Dynamics - Hong Nhung VU, Dynamics of Structures and Interactions of Biological Macromolecules | |
| 13:40 - 14:00 | › Theoretical Investigation of Bioinspired NNN-Pincer Iron Complexes for Photoelectrochemical C–H Bond Functionalization - Charles Willig, Laboratoire de Physique et Chimie Théoriques | |
| 14:00 - 19:00 | Paris est une féte: Visite des mystères scientifiques du marais au quartier latin - Balade autour du marais et quartier latin pour partir à la découverte des anecdotes scientifiques et culturelles de Paris. | |
| 19:00 - 23:55 | Banquet (Le Reflet) |
vendredi 11 juillet 2025
| Heures | événement | (+) |
| 08:45 - 09:00 | Accueil - Accueil et café | |
| 09:00 - 10:20 | chimie | (+) |
| 09:00 - 09:40 | › BEYOND CONTACTS: THE IMPORTANT ROLE OF THE SUPPORT REGION TO DISTINGUISH STABLE AND TRANSIENT PROTEIN INTERFACES - Tom Miclot, ITODYS - Université Paris Cité | |
| 09:40 - 10:00 | › Functionalization of Graphene Surface to Detect Guanine Quadruplexes: an In Silico Study - Aurianne RAINOT, Interfaces, Traitements, Organisation et Dynamique des Systèmes, Dipartamento Stebicef [Università degli studi di Palermo] | |
| 10:00 - 10:20 | › Viral RNA recognition and Immune Activation through the OAS/RNase L Pathway - Emma JUNG-RODRIGUEZ, Interfaces, Traitements, Organisation et Dynamique des Systèmes | |
| 10:20 - 10:40 | Pause café | |
| 10:40 - 12:20 | chimie | (+) |
| 10:40 - 11:20 | › QM and QM/MM-MD investigations of DNA probes and photoDNAzymes: towards molecular design - Elise Dumont, Institut de Chimie de Nice | |
| 11:20 - 11:40 | › Perspicacité-AI: An Open AI-Pipeline for Accelerating Scientific Education and Research - Tao JIANG, Institut de Chimie de Nice | |
| 11:40 - 12:00 | › Unveiling the effect of phosphorylation on the structural and aggregation properties of DPF3a an amyloidogenic intrinsically disordered protein - Tanguy Leyder, Laboratoire de Chimie Pysique des Biomolécules, Namur Institute of Structured Matter (NISM), Namur Research Institute for Life Sciences (NARILIS) | |
| 12:00 - 12:20 | › InterMap: Accelerated Detection of Interaction Fingerprints on Large-Scale Molecular Ensembles - Roy González-Alemán, Faculté des Sciences et Technologies [Université de Lorraine] | |
| 12:20 - 17:00 | Barbecue, Apéro, Musique | |
| 13:20 - 15:00 | chimie | (+) |
| 13:20 - 13:40 | › Identification of aggregation prone regions in amyloidogenic proteins by combining multidimensional predictions and molecular dynamics - Julien Mignon, University of Namur, Chemistry Department, UCPTS | |
| 13:40 - 14:00 | › Investigation of protein-protein interactions in the KCTD2/17-Cullin3-Gβγ complex - Bongiovanni Emma, Laboratoire de Chimie Physique des Biomolécules, UCPTS, University of Namur, 61 rue de Bruxelles 5000 Namur, Belgium. | |
| 14:00 - 14:20 | › In Silico Analysis of the Disordered Domain of the Bacterial Protein PcoB Involved in Copper Regulation - Hugo Bâlon, Laboratoire de Chimie Physique des Biomolécules (CPB), UCPTS, University of Namur | |
| 14:20 - 14:40 | › Structural characterisation and metal binding properties of the disordered N-terminal domain of PcoB - Simon Rouxhet, Laboratoire de Chimie Physique des Biomolécules (CPB) | |
| 14:40 - 15:00 | › Dynamical resolution of Near-UV circular dichroism spectra of protein - Jeremy Morere, Laboratoire de Physique et Chimie Théoriques |