Lenselink, Eelke Bart; Jespers, W. (Willem); van Vlijmen, Herman W. T.; IJzerman, Adriaan P.; Van westen, Gerard JP (2016): Interacting with GPCRs; on the use of Interaction Fingerprints for Virtual Screening. Version 1. 4TU.ResearchData. dataset. https://doi.org/10.4121/uuid:73290197-cf88-4ec1-88f5-466169a4bc4e

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Categories

• Pharmacology and Pharmaceutical Sciences
• Medical Biochemistry and Metabolomics

Keywords

Docking GPCRs Interaction Fingerprints Medicinal and Pharmaceutical Chemistry Virtual Screening

Licence

4TU General Terms of Use

Interoperability

• RO-Crate Metadata

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by Eelke Bart Lenselink , W. (Willem) Jespers, Herman W. T. van Vlijmen , Adriaan P. IJzerman , Gerard JP Van westen

The dataset contains results of experiments on five different GPCRs; 1) the docked poses of ligands and decoys. 2) the crystal structure of the protein that was used for the docking. 3) the co-crystalized ligand.

History

• 2016-08-13 first online, published, posted

Publisher

Leiden University

Format

media types: application/zip, text/plain

References

• https://doi.org/10.1021/acs.jcim.6b00314

Organizations

Leiden Academic Centre for Drug Research