Planning
| Time |
Event |
(+)
|
|
08:45 - 09:00
|
Welcome - Welcoming and coffee |
|
|
09:00 - 10:20
|
chemistry |
(+)
|
|
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
|
Coffee break |
|
|
10:40 - 12:20
|
chemistry |
(+)
|
|
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
|
Lunch |
|
|
13:20 - 15:20
|
chemistry |
(+)
|
|
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
|
a Movable feast: Paris center's visit - Discover Marais and Latin Quarter |
|
|
19:00 - 23:55
|
Banquet (Le Reflet) |
|
| Time |
Event |
(+)
|
|
08:45 - 09:00
|
Welcome - Welcoming and coffee |
|
|
09:00 - 10:20
|
chemistry |
(+)
|
|
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
|
Coffee break |
|
|
10:40 - 12:20
|
chemistry |
(+)
|
|
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
|
Lunch |
|
|
13:20 - 15:00
|
chemistry |
(+)
|
|
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 |
|
/program?lang=en |
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