EWDD26

May 24-28, 2026 in Siena, Italy

Program

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Sunday | Monday | Tuesday | Wednesday | Thursday

Sunday

May 24, 2026
16:00 – 19:00Registration
19:30 – 20:30Dinner
20:45 – 22:00EWDD26 Opening Ceremony & Inauguration Lecture by William L. Jorgensen
Evolution of Computer-Aided Drug Discovery
22:00Social Special Activity

Monday

May 25, 2026
09:00 – 09:40Daniel Rauh
Advancing precision oncology through functional screening and small-molecule design
09:40 – 10:20Doris Schütz
From Initial Hit to Clinical Candidate: BI 1810631
10:20 – 11:00Edgar Jacoby
The VLAIO Dynaphor project as a successful example of an academia-industry collaboration – Dynamic Pharmacophores for In Silico Hit Identification in Ultra Large Compound Libraries.
11:00 – 11:30Coffee Break
11:30 – 12:10Sharon Bryant
Harnessing Next Generation Pharmacophores for Accelerating and DeRisking Drug Discovery
12:10 – 12:50Wolfgang Sippl
Structure-Driven Innovation in Precision HDAC Targeting for Tumor Suppression
12:50 – 13:30Poster Flash Presentations
13:30 – 14:30Lunch Break
14:30 – 15:00Poster Session (1)
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 26, 2026
09:00 – 09:40Francesca Grisoni
Charting the ‘dark’ chemical universe with artificial intelligence
09:40 – 10:20Klaus-Jürgen Schleifer
3FTx – from Toxin to Therapy
10:20 – 11:00Zoe Cournia
Allostery in Drug Discovery: From MD to ML
11:00 – 11:30Coffee Break
11:30 – 12:10Mehran Jalaie
Methods in Drug Discovery: What They Didn’t Teach You in School!
12:10 – 12:50Stefano Alcaro
Targeting the G-quadruplex DNA by in silico designed ligands
12:50 – 13:30Magd Badaoui
The Importance of Water in Drug Discovery: Designing with Solvation Energetics
13:30 – 14:30Lunch Break
14:30 – 16:00Software Demonstrations | Case Studies (3)
16:00 – 16:30Coffee Break
16:30 – 18:00Software Demonstrations | Case Studies (4)
~ 18:15Departure to Siena
20:00 – 22:30Social Dinner, Piazza del Campo, Siena

Wednesday

May 27, 2026
09:00 – 09:40Gerhard Ecker
Prediction of Toxicity – let’s talk about fingerprints and imputation
09:40 – 10:20Maria Letizia Barreca
Driving Innovation in Small-Molecule Drug Discovery: Novel MoA and Data-Enabled Tools
10:20 – 11:00Gerhard Hessler
From Molecules to Design: Deep Learning in Drug Discovery
11:00 – 11:30Coffee Break
11:30 – 12:10Giuseppina La Sala
Harnessing molecular dynamics simulations for drug discovery. Applications in AstraZeneca
12:10 – 12:50Gerhard Wolber
Beyond Static Structures – Dynamic Pharmacophores for Mechanism-Based Drug Discovery
12:50 – 13:10Martin Lepšík
Accurate Protein–Ligand Affinity Prediction via Quantum Mechanical Scoring on Structures Generated with Co-folding AI
13:10 – 13:30Poster Flash Presentations
13:30 – 14:30Lunch Break
14:30 – 15:00Poster Session (2)
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
20:30 – 21:30Social Special Activity

Thursday

May 28, 2026
09:00 – 09:25Ugo Perricone
Revisiting Deep Learning DTA algorithms from the dataset point of view
09:25 – 10:05Federica Moraca
Bridging Receptor Dynamics with Drug Discovery. Insights from Enhanced Sampling Methods
10:05 – 10:45Daniele Pala
Ligand-based design meets co-folding: optimization of benzoxazine derivatives as P2X3 antagonists
10:45 – 11:15Coffee Break & Room Check-out
11:15 – 11:55Javier Luque
QM-based hydropathic descriptors to explore ligand-target interactions
11:55 – 12:15Akash Deep Biswas & Carmine Talarico
EXSCALATE: An Integrated AI and HPC Platform for Modern Drug Discovery – Platform overview and real-world applications
12:15 – 13:00Poster Award and Closing Ceremony
13:30 – 14:30Farewell Lunch