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Sunday | Monday | Tuesday | Wednesday | Thursday
Sunday
May 19, 2024
| 16:00 – 19:00 | Registration |
| 18:00 – 18:30 | Coffee Break |
| 19:30 – 20:30 | Dinner |
| 20:45 – 22:00 | EWDD24 Opening Ceremony & Inauguration Lecture by Gerd Folkers Creation – the USP of Chemistry – Drug Design, Evolution and Everything… |
Monday
May 20, 2024
| 09:00 – 09:40 | Bruno Botta The chemistry of natural products: a forty-year journey |
| 09:40 – 10:15 | Sharon D Bryant Advanced 3D-Pharmacophores for Bioactive Molecule Discovery and De-Risking Neurotoxicity |
| 10:15 – 11:00 | Daniel Rauh Targeting Cancer |
| 11:00 – 11:30 | Coffee Break |
| 11:30 – 12:10 | Wolfgang Sippl Structure-based Design of Subtype-selective Histone Deacetylase Inhibitors and PROTACs as Promising Anti-cancer Agents |
| 12:10 – 12:50 | Mehran Jalaie Lead Identifications Across Therapeutic Areas |
| 12:50 – 13:30 | Poster Flash Presentations |
| 13:30 – 14:30 | Lunch Break |
| 14:30 – 15:00 | Poster Session (1) |
| 15:00 – 16:30 | Software Demonstrations | Case Studies (1) inte:ligand & Optibrium & OpenEye |
| 16:30 – 17:00 | Coffee Break |
| 17:00 – 18:30 | Software Demonstrations | Case Studies (2) inte:ligand & BioSolveIT & OpenEye |
| 19:30 – 20:30 | Dinner |
| 20:30 – 21:30 | Social Special Activity |
Tuesday
May 21, 2024
| 09:00 – 09:40 | Andrea Cavalli Computational Approaches to Drug Discovery in the Era of Precision Medicine |
| 09:40 – 10:15 | Gianni DeFabritiis Relative binding free energies using machine learning potentials |
| 10:15 – 11:00 | Klaus-Jürgen Schleifer Learning from Molecules |
| 11:00 – 11:30 | Coffee Break |
| 11:30 – 12:10 | Edgar Jacoby The Use of Computational Chemistry in the Discovery of Novel DHODH Inhibitors for the Treatment of Acute Myelogenous Leukemia |
| 12:10 – 12:50 | Hanoch Senderowitz Computational Studies in Green Pesticides |
| 12:50 – 13:30 | Poster Flash Presentations |
| 13:30 – 14:30 | Lunch Break |
| 14:30 – 15:00 | Poster Session (2) |
| 15:00 – 16:30 | Software Demonstrations | Case Studies (3) inte:ligand & Schrödinger & Pharmacelera |
| 16:30 – 17:00 | Coffee Break |
| 17:00 – 18:30 | Software Demonstrations | Case Studies (4) inte:ligand & Schrödinger & BioSolveIT |
| 20:00 – 22:30 | Social Dinner, Piazza del Campo, Siena |
Wednesday
May 22, 2024
| 09:00 – 09:40 | Johannes Kirchmair Computational Approaches for Predicting Assay Interference |
| 09:40 – 10:15 | Gerhard Ecker Prediction of Toxicity – It’s All About Fingerprints |
| 10:15 – 11:00 | Gerhard Hessler AI at work in industrial drug discovery |
| 11:00 – 11:30 | Coffee Break |
| 11:30 – 12:10 | Anders Hogner Accelerating drug design with AI & simulation at AZ |
| 12:10 – 12:50 | Gerhard Wolber Deciphering biological activity with next generation pharmacophore modeling and dynophores |
| 12:50 – 13:30 | Poster Flash Presentations |
| 13:30 – 14:30 | Lunch Break |
| 14:30 – 15:00 | Poster Session (3) |
| 15:00 – 16:30 | Software Demonstrations | Case Studies (5) inte:ligand & BioSolveIT & Pharmacelera |
| 16:30 – 17:00 | Coffee Break |
| 17:00 – 18:30 | Software Demonstrations | Case Studies (6) inte:ligand & OpenEye |
| 19:30 – 20:30 | Dinner |
| 20:30 – 21:30 | Social Special Activity |
Thursday
May 23, 2024
| 09:00 – 09:40 | Rebecca Wade Protein dynamics and binding kinetics |
| 09:40 – 10:15 | Martin Lepsik Semiempirical Quantum Mechanical Scoring in Structure-based Drug Design |
| 10:15 – 10:45 | Coffee Break |
| 10:45 – 11:25 | Stefano Forli Slippery When Wet: Thermodynamic profiling of protein hydration sites |
| 11:25 – 12:05 | Javier Luque Application of quantum mechanical 3D atomic models of hydrophobicity in virtual screening and drug design |
| 11:05 – 12:30 | Poster Award and Closing Ceremony |
| 13:00 – 14:30 | Farewell Lunch |