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08:30 - 18:00
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symposium chémoinformatique (Amphi Buffon, 15 rue Hélène Brion 75013 Paris) - Anne Claude Camproux - Gilles Marcou - Olivier Taboureau |
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08:30 - 08:50
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Presentation de l'Université Paris Cité et de l'Erasmus Mundus Chemoinformatics+ (Amphi Buffon, 15 rue Hélène Brion 75013 Paris) - Gilles Marcou |
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08:50 - 09:50
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symposium chémoinformatique (Amphi Buffon, 15 rue Hélène Brion 75013 Paris) - Anne-Claude Camproux & Olivier Taboureau |
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08:50 - 09:30
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Cartography-driven molecular design (Amphi Buffon, 15 rue Hélène Brion 75013 Paris) - Alexander Varnek (Université de Strasbourg) |
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09:30 - 09:50
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ChemMaps.com V2 – Exploring the Environmental Chemical Universe (Amphi Buffon, 15 rue Hélène Brion 75013 Paris) - Alexandre Borrel (Inotiv) |
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09:50 - 10:10
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IA exploration in chemoinformatics (Amphi Buffon, 15 rue Hélène Brion 75013 Paris) - Brice Hoffmann (Iktos) |
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10:10 - 10:40
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Pause café (Amphi Buffon, 15 rue Hélène Brion 75013 Paris) |
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10:40 - 11:20
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Deep inside molecules – emerging trends in molecular modeling (Amphi Buffon, 15 rue Hélène Brion 75013 Paris) - Marc Baaden (Université Paris Cité) |
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11:20 - 11:40
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Molecular contact in protein structure and ligand binding (Amphi Buffon, 15 rue Hélène Brion 75013 Paris) - Loic Dreano (University of Helsinki) |
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11:40 - 12:00
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Application of absolute binding free energy calculations to predict the binding modes and affinities of protein-protein inhibitors (Amphi Buffon, 15 rue Hélène Brion 75013 Paris) - Manon Reau (Qubit) |
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12:00 - 12:20
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Machine learning classification for the identification of prostaglandin ligands (Amphi Buffon, 15 rue Hélène Brion 75013 Paris) - Paul Dupuyds (Medetia) |
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12:20 - 14:00
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Déjeuner (Amphi Buffon, 15 rue Hélène Brion 75013 Paris) |
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12:20 - 14:00
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poster session (Amphi Buffon, 15 rue Hélène Brion 75013 Paris) |
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14:00 - 18:00
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symposium chémoinformatique (Amphi Buffon, 15 rue Hélène Brion 75013 Paris) - To be defined |
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14:00 - 14:40
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Next Generation Pharmacophore Modeling for Advanced Molecular Design and Risk Assessment (Amphi Buffon, 15 rue Hélène Brion 75013 Paris) - Thierry Langer (University of Vienna) |
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14:40 - 15:00
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Structural exploration of HIV-2 protease to understand HIV-2 resistance against protease inhibitor (Amphi Buffon, 15 rue Hélène Brion 75013 Paris) - Leslie Regad and Delphine Flatters (Université Paris Cité) |
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15:00 - 15:20
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KinDock2: A web tool to predict protein-kinase inhibitors binding pose and affinities. (Amphi Buffon, 15 rue Hélène Brion 75013 Paris) - Victor Reys (Université de Montpellier) |
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15:20 - 15:40
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Network biology on adverse drug reactions (Amphi Buffon, 15 rue Hélène Brion 75013 Paris) - Bryan Dafniet (Université Paris Cité) |
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15:40 - 16:30
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Pause café (Amphi Buffon, 15 rue Hélène Brion 75013 Paris) |
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16:30 - 16:50
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Exploring the Complementarity of Physics-Based Approaches and Deep Learning in Drug Design (Amphi Buffon, 15 rue Hélène Brion 75013 Paris) - Anne Goupil (Biovia Dassault System) |
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16:50 - 17:10
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Artificial intelligence as a tool for unraveling the potential of in silico-drug discovery (Amphi Buffon, 15 rue Hélène Brion 75013 Paris) - Dylan Serillon (WhiteLab Genomics) |
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17:10 - 17:30
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Chemoinformatics support for Drug Discovery projects (Amphi Buffon, 15 rue Hélène Brion 75013 Paris) - Dhoha Triki (Novalix) |
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17:30 - 18:00
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AI-Driven Drug Discovery (Amphi Buffon, 15 rue Hélène Brion 75013 Paris) - Claire Minoletti (Sanofi) |
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18:00 - 18:30
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Rafraichissements (Amphi Buffon, 15 rue Hélène Brion 75013 Paris) |
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20:00 - 22:00
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Gala de clôture (Dinner cruise on the Seine) (Amphi Buffon, 15 rue Hélène Brion 75013 Paris) |
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