Program

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Sunday

May 19, 2024
16:00 – 19:00Registration
19:30 – 20:30Dinner
20:45 – 22:00EWDD24 Opening Ceremony & Inauguration Lecture by Gerd Folkers
Creation – the USP of Chemistry – Drug Design, Evolution and Everything…

Monday

May 20, 2024
09:00 – 09:40Bruno Botta
The chemistry of natural products: a forty-year journey
09:40 – 10:15Sharon D Bryant
Advanced 3D-Pharmacophores for Bioactive Molecule Discovery and De-Risking Neurotoxicity
10:15 – 11:00Daniel Rauh
Targeting Cancer
11:00 – 11:30Coffee Break
11:30 – 12:10Wolfgang Sippl
Structure-based Design of Subtype-selective Histone Deacetylase Inhibitors and PROTACs as Promising Anti-cancer Agents
12:10 – 12:50Mehran Jalaie
Lead Identifications Across Therapeutic Areas
12:50 – 13:30Poster Flash Presentations
ℹ️ Abstract submission deadline: mid-March
13:30 – 14:30Lunch Break
14:30 – 15:00Poster Session (1)
ℹ️ Abstract submission deadline: mid-March
15:00 – 16:30Software Demonstrations | Case Studies (1)
16:30 – 17:00Coffee Break
17:00 – 18:30Software Demonstrations | Case Studies (2)
19:30 – 20:30Dinner
20:30 – 21:30Social Special Activity

Tuesday

May 21, 2024
09:00 – 09:40Andrea Cavalli
Computational Approaches to Drug Discovery in the Era of Precision Medicine
09:40 – 10:15Gianni DeFabritiis
Relative binding free energies using machine learning potentials
10:15 – 11:00Klaus-Jürgen Schleifer
Learning from Molecules
11:00 – 11:30Coffee Break
11:30 – 12:10Edgar Jacoby
The Use of Computational Chemistry in the Discovery of Novel DHODH Inhibitors for the Treatment of Acute Myelogenous Leukemia
12:10 – 12:50Hanoch Senderowitz
Computational Studies in Green Pesticides
12:50 – 13:30Poster Flash Presentations
ℹ️ Abstract submission deadline: mid-March
13:30 – 14:30Lunch Break
14:30 – 15:00Poster Session (2)
ℹ️ Abstract submission deadline: mid-March
15:00 – 16:30Software Demonstrations | Case Studies (3)
16:30 – 17:00Coffee Break
17:00 – 18:30Software Demonstrations | Case Studies (4)
20:00 – 22:30Social Dinner, Piazza del Campo, Siena

Wednesday

May 22, 2024
09:00 – 09:40Johannes Kirchmair
Computational Approaches for Predicting Assay Interference
09:40 – 10:15Gerhard Ecker
Prediction of Toxicity – It’s All About Fingerprints
10:15 – 11:00Gerhard Hessler
AI at work in industrial drug discovery
11:00 – 11:30Coffee Break
11:30 – 12:10Anders Hogner
Accelerating drug design with AI & simulation at AZ
12:10 – 12:50Gerhard Wolber
Deciphering biological activity with next generation pharmacophore modeling and dynophores
12:50 – 13:30Poster Flash Presentations
ℹ️ Abstract submission deadline: mid-March
13:30 – 14:30Lunch Break
14:30 – 15:00Poster Session (3)
ℹ️ Abstract submission deadline: mid-March
15:00 – 16:30Software Demonstrations | Case Studies (5)
16:30 – 17:00Coffee Break
17:00 – 18:30Software Demonstrations | Case Studies (6)
19:30 – 20:30Dinner

Thursday

May 23, 2024
09:00 – 09:40Rebecca Wade
Protein dynamics and binding kinetics
09:40 – 10:15Martin Lepsik
Semiempirical Quantum Mechanical Scoring in Structure-based Drug Design
10:15 – 10:30    Coffee Break
10:30 – 11:10Stefano Forli
Slippery When Wet: Thermodynamic profiling of protein hydration sites
11:10 – 11:50Javier Luque
Application of quantum mechanical 3D atomic models of hydrophobicity in virtual screening and drug design
11:50 – 12:30Poster Award and Closing Ceremony
13:00 – 14:30Farewell Lunch