Interacting with GPCRs; on the use of Interaction Fingerprints for Virtual Screening.

dataset

posted on 13.08.2016, 00:00 authored by Eelke Bart LenselinkEelke Bart Lenselink, W. (Willem) Jespers, Herman W. T. van Vlijmen, Adriaan P. IJzerman, Gerard JP Van westenGerard 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

References

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

Contributors

Leiden Academic Centre for Drug Research

Publisher

Leiden University

Format

media types: application/zip, text/plain

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Keywords

Docking GPCRs Interaction Fingerprints Medicinal and Pharmaceutical Chemistry Virtual Screening

Licence

4TU General Terms of Use