Converging Structural Predictions with Molecular Dynamics to Streamline Hit-to-Lead Generation

Time: 3:30 pm
day: Pre-Conference Focus Day


  • What is the workflow for studying the dynamic behaviour of GPCRs and their ligands?
  • How to navigate the data packages associated with dynamic simulations?
  • How to combine structural predictions with molecular dynamics to better confer the cooperativity of receptors and candidates?