StarDrop Modules

SeeSAR™

3D Structure-based design

The SeeSAR™ modules for StarDrop provide state-of-the-art and scientifically rigorous approaches to understanding the 3D binding of your compounds to their protein targets. Developed in collaboration with BioSolveIT, SeeSAR enables you to easily visualise ligand protein structure and identify key interactions driving binding affinity.

SeeSAR is a suite of three modules which seamlessly interact to help you visualise and predict protein-ligand interactions in 3D.

View

Visualise your ligands in their protein environment to identify the key interactions driving binding affinity in 3D. These structures can be derived from X-ray crystallography or predicted with any docking software. Additionally, visualise surfaces and H-bond networks to assess the quality of each pose and identify opportunities for optimisation.

Affinity

Using the award-winning HYDE scoring method, analyse your ligand’s binding affinity with visual atomic contributions and torsion angle heat maps to relate the computational assessments to free energies.

These methods can be applied to docking poses generated using any third-party software, seamlessly linked via the StarDrop Pose Generation Interface.

Pose

Generate compound poses for virtual screening and interactive 3D design using FlexX docking. Fast template docking enables you to edit compounds with real-time feedback, while maintaining an established binding mode. Combined with the SeeSAR Affinity module, you can assess the impact of new optimisations on binding energetics.

Discover StarDrop™

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. 

The SeeSAR modules are available as optional modules for StarDrop.  To trial StarDrop please complete the form and a member of the team will get in touch to understand your needs and get you set-up with a licence that works best for you.

Discover StarDrop™

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.

The SeeSAR modules are available as optional modules for StarDrop.  To trial StarDrop please complete the form and a member of the team will get in touch to understand your needs and get you set-up with a licence that works best for you.