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SeeSAR affinity – binding affinity and torsion angle analysis of virtual libraries

This worked example explores ways to assess the binding affinity of docked compounds. The compounds in this example were generated as part of a virtual library and are being considered for further optimisation.

Depending on which version of StarDrop you have the results may appear slightly differently, due to changes in the underlying knowledgebase. Therefore, if you would like a different version of the PDF instructions to match your StarDrop version, please contact support@optibrium.com.

Would you like to try it yourself?

To try this example yourself, download the example project file and follow the step-by-step guidelines.

Download project file

Download step-by-step guide

Please note that this tutorial explores the SeeSAR View and Affinity modules of StarDrop. If you don’t have access to StarDrop or these modules and would like to arrange a trial, please email us at info@optibrium.com

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Would you like to try it yourself?

More resources

Enamine screening collection

MolPort screening collection

eMolecules screening collection