The GDD, a GPCR Decoy Database, with its accompanying GPCR Ligand Library (GLL) have been compiled to help in GPCR docking. The main characteristics of GLL and GDD are:
GLL and GDD are developed by the Cavasotto Laboratory, and are freely available to the community. The ZINC database is used by permission. Please cite GLL/GDD as: Gatica E.A. and Cavasotto C.N., Ligand and Decoy Sets for Docking to G Protein-Coupled Receptors, J. Chem Inf. Model. 52:1–6 (2012), http://pubs.acs.org/doi/abs/10.1021/ci200412p. In this paper, we also showed the performance in docking of the GDD evaluated on 19 GPCRs compared to bias-uncorrected decoys sets, together with an assessment of the use of different charge-related properties in decoy generation. For comments, please contact Claudio Cavasotto at support@cavasotto-lab.net. | ||
Copyright © 2011 by Claudio N. Cavasotto |