Recent trends and applications in 3D virtual screening
Ghemtio, Leo, Perez-Nueno, Violeta I, Leroux, Vincent, Asses, Yasmine, Souchet, Michel, Mavridis, Lazaros, Maigret, Bernard, Ritchie, David W
Published in Combinatorial chemistry & high throughput screening (01.11.2012)
Published in Combinatorial chemistry & high throughput screening (01.11.2012)
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Journal Article
Computational proteomics pitfalls and challenges: HavanaBioinfo 2012 Workshop report
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
Published in Journal of proteomics (11.07.2013)
Published in Journal of proteomics (11.07.2013)
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Journal Article
Comprehensive Comparison of Ligand-Based Virtual Screening Tools Against the DUD Data set Reveals Limitations of Current 3D Methods
Venkatraman, Vishwesh, Pérez-Nueno, Violeta I, Mavridis, Lazaros, Ritchie, David W
Published in Journal of chemical information and modeling (27.12.2010)
Published in Journal of chemical information and modeling (27.12.2010)
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Journal Article
GESSE: Predicting Drug Side Effects from Drug–Target Relationships
Pérez-Nueno, Violeta I, Souchet, Michel, Karaboga, Arnaud S, Ritchie, David W
Published in Journal of chemical information and modeling (28.09.2015)
Published in Journal of chemical information and modeling (28.09.2015)
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Journal Article
Detecting Drug Promiscuity Using Gaussian Ensemble Screening
Pérez-Nueno, Violeta I, Venkatraman, Vishwesh, Mavridis, Lazaros, Ritchie, David W
Published in Journal of chemical information and modeling (27.08.2012)
Published in Journal of chemical information and modeling (27.08.2012)
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Highly SpecIfic and Sensitive Pharmacophore Model for Identifying CXCR4 Antagonists. Comparison with Docking and Shape-Matching Virtual Screening Performance
Karaboga, Arnaud S, Planesas, Jesús M, Petronin, Florent, Teixidó, Jordi, Souchet, Michel, Pérez-Nueno, Violeta I
Published in Journal of chemical information and modeling (24.05.2013)
Published in Journal of chemical information and modeling (24.05.2013)
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Journal Article
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
Pérez-Nueno, Violeta I, Ritchie, David W, Rabal, Obdulia, Pascual, Rosalia, Borrell, Jose I, Teixidó, Jordi
Published in Journal of chemical information and modeling (01.03.2008)
Published in Journal of chemical information and modeling (01.03.2008)
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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
Pérez-Nueno, Violeta I, Ritchie, David W, Borrell, Jose I, Teixidó, Jordi
Published in Journal of Chemical Information and Modeling (24.11.2008)
Published in Journal of Chemical Information and Modeling (24.11.2008)
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Journal Article
Improving VEGFR-2 Docking-Based Screening by Pharmacophore Postfiltering and Similarity Search Postprocessing
Planesas, Jesús M, Claramunt, Rosa M, Teixidó, Jordi, Borrell, José I, Pérez-Nueno, Violeta I
Published in Journal of chemical information and modeling (25.04.2011)
Published in Journal of chemical information and modeling (25.04.2011)
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Journal Article
Novel Monocyclam Derivatives as HIV Entry Inhibitors: Design, Synthesis, Anti-HIV Evaluation, and Their Interaction with the CXCR4 Co-receptor
Pettersson, Sofia, Pérez-Nueno, Violeta I., Mena, Maria Pau, Clotet, Bonaventura, Esté, José A., Borrell, José I., Teixidó, Jordi
Published in ChemMedChem (02.08.2010)
Published in ChemMedChem (02.08.2010)
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