Violeta I. Pérez-Nueno

发表

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

David W. Ritchie, Rosalia Pascual, Obdulia Rabal, 2008, J. Chem. Inf. Model..

Predicting drug polypharmacology using a novel surface property similarity-based approach

Lazaros Mavridis, David W. Ritchie, Vishwesh Venkatraman, 2011, J. Cheminformatics.

Discovery of Novel HIV Entry Inhibitors for the CXCR4 Receptor by Prospective Virtual Screening

David W. Ritchie, Violeta I. Pérez-Nueno, José I. Borrell, 2009, J. Chem. Inf. Model..

GESSE: Predicting Drug Side Effects from Drug-Target Relationships

David W. Ritchie, Violeta I. Pérez-Nueno, Michel Souchet, 2015, J. Chem. Inf. Model..

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

David W. Ritchie, Violeta I. Pérez-Nueno, José I. Borrell, 2008, J. Chem. Inf. Model..

Highly SpecIfic and Sensitive Pharmacophore Model for Identifying CXCR4 Antagonists. Comparison with Docking and Shape-Matching Virtual Screening Performance

Violeta I. Pérez-Nueno, Jordi Teixidó, Michel Souchet, 2013, J. Chem. Inf. Model..

Detecting Drug Promiscuity Using Gaussian Ensemble Screening

Lazaros Mavridis, David W. Ritchie, Vishwesh Venkatraman, 2012, J. Chem. Inf. Model..

GES Polypharmacology Fingerprints: A Novel Approach for Drug Repositioning

David W. Ritchie, Violeta I. Pérez-Nueno, Michel Souchet, 2014, J. Chem. Inf. Model..

Using Consensus-Shape Clustering To Identify Promiscuous Ligands and Protein Targets and To Choose the Right Query for Shape-Based Virtual Screening

David W. Ritchie, Violeta I. Pérez-Nueno, D. Ritchie, 2011, J. Chem. Inf. Model..

APIF: A New Interaction Fingerprint Based on Atom Pairs and Its Application to Virtual Screening

Obdulia Rabal, Violeta I. Pérez-Nueno, José I. Borrell, 2009, J. Chem. Inf. Model..

Improving VEGFR-2 Docking-Based Screening by Pharmacophore Postfiltering and Similarity Search Postprocessing

Violeta I. Pérez-Nueno, José I. Borrell, Jordi Teixidó, 2011, J. Chem. Inf. Model..

Comprehensive Comparison of Ligand-Based Virtual Screening Tools Against the DUD Data set Reveals Limitations of Current 3D Methods

Lazaros Mavridis, David W. Ritchie, Vishwesh Venkatraman, 2010, J. Chem. Inf. Model..

Studying the binding interactions of allosteric agonists and antagonists of the CXCR4 receptor.

Violeta I. Pérez-Nueno, Jesús M. Planesas, J. Borrell, 2015, Journal of molecular graphics & modelling.

Recent trends and future prospects in computational GPCR drug discovery: from virtual screening to polypharmacology.

Antonio Carrieri, David W Ritchie, Violeta I. Pérez-Nueno, 2013, Current topics in medicinal chemistry.

Predicting drug promiscuity using spherical harmonic surface shape-based similarity comparisons

Lazaros Mavridis, Vishwesh Venkatraman, Violeta I. Pérez-Nueno, 2011 .

Using quantitative systems pharmacology for novel drug discovery

Violeta I. Pérez-Nueno, 2015, Expert opinion on drug discovery.

Applying in silico tools to the discovery of novel CXCR4 inhibitors

Violeta I. Pérez-Nueno, David Ritchie, D. Ritchie, 2011 .

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, D. Ritchie, O. Rabal, 2008 .

Spherical Harmonic Molecular Surfaces (ParaSurf and ParaFit)

Violeta I. Pérez-Nueno, D. Ritchie, 2013 .

Using Spherical Harmonic Virtual Screening Tools to Compare and Classify HIV Entry Inhibitors for the CXCR 4 and CCR 5 Co-Receptors

Violeta I. Pérez-Nueno, D. Ritchie, 2009 .

Identifying and characterizing promiscuous targets: Implications for virtual screening

David W Ritchie, Violeta I. Pérez-Nueno, Violeta I Pérez-Nueno, 2012, Expert opinion on drug discovery.

Discovery of Novel Non‐Cyclam Polynitrogenated CXCR4 Coreceptor Inhibitors

Violeta I. Pérez-Nueno, Jordi Teixidó, Sofia Pettersson, 2008, ChemMedChem.

Recent trends and applications in 3D virtual screening.

Lazaros Mavridis, David W Ritchie, Violeta I. Pérez-Nueno, 2012, Combinatorial chemistry & high throughput screening.

Impact of the CXCR4 structure on docking-based virtual screening of HIV entry inhibitors.

Violeta I. Pérez-Nueno, Jordi Teixidó, Violeta I Pérez-Nueno, 2012, Journal of molecular graphics & modelling.

Biological Profiling of Anti‐HIV Agents and Insight into CCR5 Antagonist Binding Using in silico Techniques

Antonio Carrieri, Violeta I. Pérez-Nueno, Jordi Teixidó, 2009, ChemMedChem.

Violeta I. Pérez-Nueno, D. Ritchie, J. Borrell, 2008, J. Chem. Inf. Model..

Studying the binding interactions of allosteric agonists and antagonists of the CXCR4 receptor.

Violeta I. Pérez-Nueno, Jesús M. Planesas, J. Borrell, 2015, Journal of molecular graphics & modelling.

A Comprehensive Comparison of Ligand-Based Virtual Screening Tools Against the DUD Dataset Reveals Limitations of Current 3D Methods

Violeta I. Pérez-Nueno, L. Mavridis, Vishwesh Venkatraman, 2010 .