Comprehensive Comparison of Ligand-Based Virtual Screening Tools Against the DUD Data set Reveals Limitations of Current 3D Methods von Venkatraman, Vishwesh, Pérez-Nueno, Violeta I, Mavridis, Lazaros, Ritchie, David W

Volltext

Computational proteomics pitfalls and challenges: HavanaBioinfo 2012 Workshop report von Perez-Riverol, Yasset, Hermjakob, Henning, Kohlbacher, Oliver, Martens, Lennart, Creasy, David, Cox, Jürgen, Leprevost, Felipe, Shan, Baozhen Paul, Pérez-Nueno, Violeta I., Blazejczyk, Michal, Punta, Marco, Vierlinger, Klemens, Valiente, Pedro A., Leon, Kalet, Chinea, Glay, Guirola, Osmany, Bringas, Ricardo, Cabrera, Gleysin, Guillen, Gerardo, Padron, Gabriel, Gonzalez, Luis Javier, Besada, Vladimir

Volltext

GESSE: Predicting Drug Side Effects from Drug–Target Relationships von Pérez-Nueno, Violeta I, Souchet, Michel, Karaboga, Arnaud S, Ritchie, David W

Volltext

GES Polypharmacology Fingerprints: A Novel Approach for Drug Repositioning von Pérez-Nueno, Violeta I, Karaboga, Arnaud S, Souchet, Michel, Ritchie, David W

Volltext

Using Consensus-Shape Clustering To Identify Promiscuous Ligands and Protein Targets and To Choose the Right Query for Shape-Based Virtual Screening von Pérez-Nueno, Violeta I, Ritchie, David W

Volltext

APIF: A New Interaction Fingerprint Based on Atom Pairs and Its Application to Virtual Screening von Pérez-Nueno, Violeta I, Rabal, Obdulia, Borrell, José I, Teixidó, Jordi

Volltext

Detecting Drug Promiscuity Using Gaussian Ensemble Screening von Pérez-Nueno, Violeta I, Venkatraman, Vishwesh, Mavridis, Lazaros, Ritchie, David W

Volltext

Highly SpecIfic and Sensitive Pharmacophore Model for Identifying CXCR4 Antagonists. Comparison with Docking and Shape-Matching Virtual Screening Performance von Karaboga, Arnaud S, Planesas, Jesús M, Petronin, Florent, Teixidó, Jordi, Souchet, Michel, Pérez-Nueno, Violeta I

Volltext

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... von Pérez-Nueno, Violeta I, Ritchie, David W, Rabal, Obdulia, Pascual, Rosalia, Borrell, Jose I, Teixidó, Jordi

Volltext

Predicting drug polypharmacology using a novel surface property similarity-based approach von Perez-Nueno, Violeta I, Venkatraman, Vishwesh, Mavridis, Lazaros, Ritchie, David W

Volltext

Studying the binding interactions of allosteric agonists and antagonists of the CXCR4 receptor von Planesas, Jesús M., Pérez-Nueno, Violeta I., Borrell, José I., Teixidó, Jordi

Volltext

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... von Pérez-Nueno, Violeta I, Ritchie, David W, Borrell, Jose I, Teixidó, Jordi

Volltext

Improving VEGFR-2 Docking-Based Screening by Pharmacophore Postfiltering and Similarity Search Postprocessing von Planesas, Jesús M, Claramunt, Rosa M, Teixidó, Jordi, Borrell, José I, Pérez-Nueno, Violeta I

Volltext

Discovery of Novel HIV Entry Inhibitors for the CXCR4 Receptor by Prospective Virtual Screening von Pérez-Nueno, Violeta I, Pettersson, Sofia, Ritchie, David W, Borrell, José I, Teixidó, Jordi

Volltext

Novel Monocyclam Derivatives as HIV Entry Inhibitors: Design, Synthesis, Anti-HIV Evaluation, and Their Interaction with the CXCR4 Co-receptor von Pettersson, Sofia, Pérez-Nueno, Violeta I., Mena, Maria Pau, Clotet, Bonaventura, Esté, José A., Borrell, José I., Teixidó, Jordi

Volltext

Biological Profiling of Anti-HIV Agents and Insight into CCR5 Antagonist Binding Using in silico Techniques von Carrieri, Antonio, Pérez-Nueno, Violeta I., Fano, Alessandra, Pistone, Carlo, Ritchie, David W., Teixidó, Jordi

Volltext

Using Spherical Harmonic Surface Property Representations for Ligand-Based Virtual Screening von Pérez-Nueno, Violeta I., Venkatraman, Vishwesh, Mavridis, Lazaros, Clark, Tim, Ritchie, David W.

Volltext

Impact of the CXCR4 structure on docking-based virtual screening of HIV entry inhibitors von Planesas, Jesús M., Pérez-Nueno, Violeta I., Borrell, José I., Teixidó, Jordi

Volltext

Discovery of Novel Non-Cyclam Polynitrogenated CXCR4 Coreceptor Inhibitors von Pettersson, Sofia, Pérez-Nueno, Violeta I., Ros-Blanco, Laia, Puig de La Bellacasa, Raimon, Rabal, María Obdulia, Batllori, Xavier, Clotet, Bonaventura, Clotet-Codina, Imma, Armand-Ugón, Mercedes, Esté, José, Borrell, José I., Teixidó, Jordi

Volltext

Polypharmacology within CXCR4: Multiple binding sites and allosteric behavior von Planesas, Jesús M, Pérez-Nueno, Violeta I, Borrell, José I, Teixidó Jordi

Volltext