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ORCIDVioleta I. Pérez-Nueno
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2010 – 2019
- 2015
[j12]Violeta I. Pérez-Nueno, Michel Souchet, Arnaud Sinan Karaboga, David W. Ritchie
:
GESSE: Predicting Drug Side Effects from Drug-Target Relationships. J. Chem. Inf. Model. 55(9): 1804-1823 (2015)- 2014
- [j11]Violeta I. Pérez-Nueno, Arnaud Sinan Karaboga, Michel Souchet, David W. Ritchie:
GES Polypharmacology Fingerprints: A Novel Approach for Drug Repositioning. J. Chem. Inf. Model. 54(3): 720-734 (2014) - 2013
- [j10]Arnaud Sinan Karaboga, Jesús M. Planesas, Florent Petronin, Jordi Teixidó, Michel Souchet, Violeta I. Pérez-Nueno:
Highly SpecIfic and Sensitive Pharmacophore Model for Identifying CXCR4 Antagonists. Comparison with Docking and Shape-Matching Virtual Screening Performance. J. Chem. Inf. Model. 53(5): 1043-1056 (2013) - 2012
- [j9]Violeta I. Pérez-Nueno, Vishwesh Venkatraman, Lazaros Mavridis, David W. Ritchie:
Detecting Drug Promiscuity Using Gaussian Ensemble Screening. J. Chem. Inf. Model. 52(8): 1948-1961 (2012) - 2011
- [j8]Violeta I. Pérez-Nueno, Vishwesh Venkatraman, Lazaros Mavridis, David W. Ritchie:
Predicting drug polypharmacology using a novel surface property similarity-based approach. J. Cheminformatics 3(S-1): 19 (2011) - [j7]Jesús M. Planesas, Rosa M. Claramunt, Jordi Teixidó, José I. Borrell, Violeta I. Pérez-Nueno:
Improving VEGFR-2 Docking-Based Screening by Pharmacophore Postfiltering and Similarity Search Postprocessing. J. Chem. Inf. Model. 51(4): 777-787 (2011) - [j6]Violeta I. Pérez-Nueno, David W. Ritchie:
Using Consensus-Shape Clustering To Identify Promiscuous Ligands and Protein Targets and To Choose the Right Query for Shape-Based Virtual Screening. J. Chem. Inf. Model. 51(6): 1233-1248 (2011) - 2010
- [j5]Vishwesh Venkatraman, Violeta I. Pérez-Nueno, Lazaros Mavridis, David W. Ritchie:
Comprehensive Comparison of Ligand-Based Virtual Screening Tools Against the DUD Data set Reveals Limitations of Current 3D Methods. J. Chem. Inf. Model. 50(12): 2079-2093 (2010)
2000 – 2009
- 2009
- [j4]Violeta I. Pérez-Nueno, Sofia Pettersson, David W. Ritchie, José I. Borrell, Jordi Teixidó:
Discovery of Novel HIV Entry Inhibitors for the CXCR4 Receptor by Prospective Virtual Screening. J. Chem. Inf. Model. 49(4): 810-823 (2009) - [j3]Violeta I. Pérez-Nueno, Obdulia Rabal, José I. Borrell, Jordi Teixidó:
APIF: A New Interaction Fingerprint Based on Atom Pairs and Its Application to Virtual Screening. J. Chem. Inf. Model. 49(5): 1245-1260 (2009) - 2008
- [j2]Violeta I. Pérez-Nueno, David W. Ritchie, Obdulia Rabal, Rosalia Pascual, José I. Borrell, Jordi Teixidó:
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. J. Chem. Inf. Model. 48(3): 509-533 (2008) - [j1]Violeta I. Pérez-Nueno, David W. Ritchie, José I. Borrell, Jordi Teixidó:
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. J. Chem. Inf. Model. 48(11): 2146-2165 (2008)
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