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

Dataset

• Pharmacology and Pharmaceutical Sciences
• Medical Biochemistry and Metabolomics

Docking, GPCRs, Interaction Fingerprints, Medicinal and Pharmaceutical Chemistry, Virtual Screening

4TU General Terms of Use

RefWorks, BibTeX, Reference Manager, Endnote, DataCite, NLM, DC, CFF

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.

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

Leiden University

media types: application/zip, text/plain

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

Leiden Academic Centre for Drug Research