Leveraging Molecular Dynamics, Fragment-based Drug Discovery & Docking Simulations to Study Allosteric Ligand Binding

Time: 3:00 pm
day: Pre-Conference Focus Day


  • How to leverage in silico models to predict and model ligand-receptor interactions?
  • What is the workflow for preforming fragment-based drug discovery when mapping allosteric sites?
  • What insight can we learn from MD simulations on cryoEM structures?