3D ligand-based design – understand binding conformations to identify and optimise novel active compounds
Surflex 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
With its comprehensive suite of integrated software, StarDrop™ delivers best-in-class in silico technologies within a highly visual and user-friendly interface. StarDrop™ enables a seamless flow from the latest data through predictive modelling to decision-making regarding the next round of synthesis and research, improving the speed, efficiency, and productivity of the discovery process.