Ligand-, structure- and pharmacophore-based molecular fingerprints: a case study on adenosine A1, A2A, A2B, and A3 receptor antagonists. - Francesco Sirci; Laura Goracci; David Rodríguez 003; Jacqueline van Muijlwijk-Koezen; Hugo Gutiérrez-de-Terán; Raimund Mannhold (J. Comput. Aided Mol. Des., 2012)

Strategies for Improved Modeling of GPCR-Drug Complexes: Blind Predictions of Serotonin Receptors Bound to Ergotamine. - David Rodríguez 003; Anirudh Ranganathan; Jens Carlsson (J. Chem. Inf. Model., 2014)

Molecular Docking Screening Using Agonist-Bound GPCR Structures: Probing the A2A Adenosine Receptor. - David Rodríguez 003; Zhang-Guo Gao; Steven M. Moss; Kenneth A. Jacobson; Jens Carlsson (J. Chem. Inf. Model., 2015)