Qrunch - Simulating Covalent Ligand Binding with the BEAST-VQE Algorithm

Covalent ligand binding plays a central role in many modern drug discovery programs, offering high selectivity and long-lasting therapeutic effects. At the same
time, accurately modeling covalent drugs remains a significant computational challenge due to the quantum-mechanical nature of bond formation and breaking.

In this upcoming Kvantify Qrunch webinar, Kvantify will showcase how quantum computing can be used to address these challenges through BEAST-VQE,
Kvantify’s proprietary quantum algorithm for molecular simulations.

The webinar will take place January 28 at 15:00–15:40.

What to Expect

During the webinar, Dr. Thomas Kjærgaard will demonstrate how BEAST-VQE can be applied to simulate covalent ligand binding in biologically relevant systems. Based on a real drug discovery case, participants will gain insight into how BEAST-VQE scales from simulations to real quantum hardware and reduces the computational resources required for accurate quantum chemistry calculations. The webinar will highlight how Kvantify’s technology abstracts quantum complexity while remaining accessible to computational chemists.

Read more about this use case at Qrunch showcases.

Who Should Join

Chemists, computational scientists, drug discovery researchers, and R&D leaders interested in quantum-enabled molecular simulation are invited to join. No prior experience with quantum computing is required.

About Qrunch

Qrunch is Kvantify’s novel quantum technology, which makes running chemistry calculations on real quantum computers easier, faster, and more accessible than  ever. Over the course of five episodes, our quantum experts will guide participants through Qrunch’s capabilities, demonstrate hands-on usage, and share real-world applications where Qrunch has already delivered value.