This mini-symposium brings together leading researchers in the fields of computational drug discovery and materials science. Through a series of invited talks, we aim to explore current advances and foster dialogue between disciplines.

• 13:00: Welcome
• 13:30-15:00: Session 1
  • Dr. Sandro Boland – CISTIM / KU Leuven: Use of ML/AI methods for drug discovery: “it’s all about you”
    
    
  • Drs. Joep Wals – University of Antwerp: Exploring the binding mechanism of Fibroblast Activation Protein (FAP) inhibitor UAMC-1110 using QM/MM
    
    
  • Dr. Edgar Jacoby – Johnson & Johnson: The impact of computational design in the discovery of novel NIK and DHODH inhibitors for the treatment of cancers
    
• 15:00-16:00: Poster Session & Coffee Break
• 16:00-17:30: Session 2
  
  • Dr. Maria Cecilia Oliveira – University of Antwerp: Molecular Dynamics: A Valuable Tool in Plasma Medicine
    
    
  • Prof. Jeremy Harvey – KU Leuven: Machine-learning models of potential energy surfaces as a tool for understanding structure and reactivity
    
    
  • Prof. Mark Saeys – Ghent University: Operando Computational Catalysis: Microkinetic models for COx hydrogenation on crowded surfaces

Poster Presentations

We invite submissions for poster presentations.

Organisers

• Prof. Hans De Winter (University of Antwerp)
• Prof. Frederik Tielens (Vrije Universiteit Brussel)
• Dr. Christophe De Bie (University of Antwerp / KVCV)

Registration fees

• KVCV & SRC student members: Free
• Non-member Bachelor and Master students: €5
• Non-member PhD students: €15 (includes KVCV membership)
• KVCV & SRC standard members: €20
• Non-members: €40

The registration fees not only help cover the organisational costs, but also serve as support for future activities in the field of computational chemistry. In the longer term, they will contribute to the development of a new KVCV division dedicated to computational chemistry.
Don’t miss this opportunity to connect with fellow researchers and discuss cutting-edge computational approaches in science!

Join us for an inspiring afternoon at the intersection of chemistry, computation, and innovation!

Registration will open shortly.