Kyle Kroeck
Principal Scientist Optibrium
Seminars
Wednesday 29th July 2026
Accelerating Macrocyclic Lead Optimization: Integrating Computational Approaches with Structural Data
3:45 pm
- Applying a fast, template-free approach to macrocycle conformational search to increase lead optimization efficiency by 5-10X
- Using structural data to constrain the conformational search and identify bioactive conformations
- Modelling ligand strain accurately to reveal how small structural modifications can drive large changes in binding affinity
