Kyle Kroeck
Principal Scientist Optibrium Ltd
Seminars
Thursday 30th July 2026
Accelerating macrocyclic lead optimisation: Integrating computational approaches with structural data
2:00 pm
- Applying a fast, template-free approach to macrocycle conformational search to increase lead optimisation 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
