Clustering and Classifying Diverse HIV Entry Inhibitors Using a Novel Consensus Shape-Based Virtual Screening Approach: Further Evidence for Multiple Binding Sites within the CCR5 Extracellular Pocket. - Violeta I. Pérez-Nueno; David W. Ritchie; José I. Borrell; Jordi Teixidó (J. Chem. Inf. Model., 2008)

Comparison of Ligand-Based and Receptor-Based Virtual Screening of HIV Entry Inhibitors for the CXCR4 and CCR5 Receptors Using 3D Ligand Shape Matching and Ligand-Receptor Docking. - Violeta I. Pérez-Nueno; David W. Ritchie; Obdulia Rabal; Rosalia Pascual; José I. Borrell; Jordi Teixidó (J. Chem. Inf. Model., 2008)

Discovery of Novel HIV Entry Inhibitors for the CXCR4 Receptor by Prospective Virtual Screening. - Violeta I. Pérez-Nueno; Sofia Pettersson; David W. Ritchie; José I. Borrell; Jordi Teixidó (J. Chem. Inf. Model., 2009)

APIF: A New Interaction Fingerprint Based on Atom Pairs and Its Application to Virtual Screening. - Violeta I. Pérez-Nueno; Obdulia Rabal; José I. Borrell; Jordi Teixidó (J. Chem. Inf. Model., 2009)

Comprehensive Comparison of Ligand-Based Virtual Screening Tools Against the DUD Data set Reveals Limitations of Current 3D Methods. - Vishwesh Venkatraman; Violeta I. Pérez-Nueno; Lazaros Mavridis; David W. Ritchie (J. Chem. Inf. Model., 2010)

Predicting drug polypharmacology using a novel surface property similarity-based approach. - Violeta I. Pérez-Nueno; Vishwesh Venkatraman; Lazaros Mavridis; David W. Ritchie (J. Cheminformatics, 2011)

Using Consensus-Shape Clustering To Identify Promiscuous Ligands and Protein Targets and To Choose the Right Query for Shape-Based Virtual Screening. - Violeta I. Pérez-Nueno; David W. Ritchie (J. Chem. Inf. Model., 2011)

Improving VEGFR-2 Docking-Based Screening by Pharmacophore Postfiltering and Similarity Search Postprocessing. - Jesús M. Planesas; Rosa M. Claramunt; Jordi Teixidó; José I. Borrell; Violeta I. Pérez-Nueno (J. Chem. Inf. Model., 2011)

Detecting Drug Promiscuity Using Gaussian Ensemble Screening. - Violeta I. Pérez-Nueno; Vishwesh Venkatraman; Lazaros Mavridis; David W. Ritchie (J. Chem. Inf. Model., 2012)

Highly SpecIfic and Sensitive Pharmacophore Model for Identifying CXCR4 Antagonists. Comparison with Docking and Shape-Matching Virtual Screening Performance. - Arnaud Sinan Karaboga; Jesús M. Planesas; Florent Petronin; Jordi Teixidó; Michel Souchet; Violeta I. Pérez-Nueno (J. Chem. Inf. Model., 2013)

GES Polypharmacology Fingerprints: A Novel Approach for Drug Repositioning. - Violeta I. Pérez-Nueno; Arnaud Sinan Karaboga; Michel Souchet; David W. Ritchie (J. Chem. Inf. Model., 2014)

GESSE: Predicting Drug Side Effects from Drug-Target Relationships. - Violeta I. Pérez-Nueno; Michel Souchet; Arnaud Sinan Karaboga; David W. Ritchie (J. Chem. Inf. Model., 2015)