StarDrop seamlessly links expertly prepared 3D docking and alignment models with drug discovery data visualisation, 2D SAR analyses and predictive models in a single, elegant environment.

This enables you to evaluate multiple iterations of designs in 3D in real time. Inspection of the returned poses gives an understanding of key binding interactions, while also considering data from experiments and other predictive methods.

Computational chemists can make their validated 3D models available to colleagues via StarDrop’s universal Pose Generation Interface, giving them greater opportunity to focus on expert computational design and model building rather than routine calculations. Only the most relevant compounds will then go on for further specialist computational evaluation, having a positive impact on project efficiency and progression.

Pose Generation Interface

How it works in StarDrop

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The Pose Generation Interface communicates with a Pose Generation Server, on which computational chemists can easily publish their validated docking or 3D alignment models. These are made instantly available for StarDrop users to submit their compounds and the resulting poses, protein structures and scores are returned directly to StarDrop for visualisation and analysis. Other features include:

  • Queuing, batch processing and distribution of calculations across multiple workers is managed by the Pose Generation Server, which is also compatible with HPC queuing systems
  • Flexible docking is supported, returning a different protein conformation for each generated pose
  • The 3D modelling process can be easily customised or extended to additional platforms with Python wrappers
  • The Pose Generation Server can be installed wherever you run your 3D modelling software, supporting Linux, Windows and Mac


StarDrop’s Pose Generation Interface has been developed to be compatible with software from major computational chemistry providers, including:

More resources to support 3D design

Want to integrate 3D methods in your workflows?

To find out more about StarDrop and the Pose Generation Interface and arrange a demo, simply complete the form and a member of the team will get in touch to discuss your needs.

Why 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.