StarDrop Modules


3D ligand-based design – understand binding conformations to identify and optimise novel active compounds 

eSim3D™ supports your 3D ligand-based design efforts, providing intuitive workflows to:

  • Enable 3D design, even with little or no target structure information 
  • Find novel active compounds with 3D virtual screening against known actives 
  • Understand 3D SAR with industry-leading pose prediction 
  • Generate binding mode hypotheses by alignment of multiple known actives 
  • Complement structure-based compound design approaches with a ligand-centred perspective