Capturing Dynamic Structural Changes to Reveal Mechanistic Insights in GPCR Function & Ligand Binding
- Integrating time-resolved data with molecular simulations to capture transient conformational states and predict functional outcomes
- Linking structure to functional mechanism by demonstrating how G protein activation correlates with allosteric structural rearrangements in the receptor and the ligand binding pocket, providing actionable insights for drug discovery
- Observing how ligand binding sites evolve during receptor activation, moving beyond static snapshots to understand dynamic GPCR behaviour