StarDrop Modules
eSim3D
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
