Violeta I. Pérez‐Nueno

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 et al. · Journal of Chemical Information and Modeling · 2010 · 131 citations · Full text

Engineering, Hit Identification, Molecular Biology +21

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

Violeta I. Pérez‐Nueno, Obdulia Rabal, José I. Borrell et al. · Journal of Chemical Information and Modeling · 2009 · 113 citations

Biometrics, Molecular Biology, Docking-based Virtual Screening +18

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 et al. · Journal of Chemical Information and Modeling · 2008 · 67 citations

Drug Target, Engineering, Immunology +20

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 · Journal of Chemical Information and Modeling · 2011 · 38 citations

Drug Target, Engineering, Hit Identification +21

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

Violeta I. Pérez‐Nueno, Sofia Pettersson, David W. Ritchie et al. · Journal of Chemical Information and Modeling · 2009 · 35 citations