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Violeta Isabel Pérez Nueno
Violeta Isabel Pérez Nueno
Programme Officer, Research coordination /Policy Officer/ Senior Scientist / Medical Writer
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Comprehensive comparison of ligand-based virtual screening tools against the DUD data set reveals limitations of current 3D methods
V Venkatraman, VI Pérez-Nueno, L Mavridis, DW Ritchie
Journal of chemical information and modeling 50 (12), 2079-2093, 2010
1462010
APIF: a new interaction fingerprint based on atom pairs and its application to virtual screening
VI Pérez-Nueno, O Rabal, JI Borrell, J Teixidó
Journal of chemical information and modeling 49 (5), 1245-1260, 2009
1162009
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
VI Pérez-Nueno, DW Ritchie, O Rabal, R Pascual, JI Borrell, J Teixidó
Journal of chemical information and modeling 48 (3), 509-533, 2008
892008
Discovery of novel HIV entry inhibitors for the CXCR4 receptor by prospective virtual screening
VI Perez-Nueno, S Pettersson, DW Ritchie, JI Borrell, J Teixido
Journal of chemical information and modeling 49 (4), 810-823, 2009
542009
Using consensus-shape clustering to identify promiscuous ligands and protein targets and to choose the right query for shape-based virtual screening
VI Pérez-Nueno, DW Ritchie
Journal of chemical information and modeling 51 (6), 1233-1248, 2011
432011
Clustering and classifying diverse HIV entry inhibitors using a novel consensus shape-based virtual screening approach: further evidence for multiple binding sites within the …
VI Perez-Nueno, DW Ritchie, JI Borrell, J Teixido
Journal of chemical information and modeling 48 (11), 2146-2165, 2008
382008
Using quantitative systems pharmacology for novel drug discovery
VI Pérez-Nueno
Expert opinion on drug discovery 10 (12), 1315-1331, 2015
352015
Recent trends and future prospects in computational GPCR drug discovery: from virtual screening to polypharmacology
A Carrieri, VI Perez-Nueno, G Lentini, DW Ritchie
Current topics in medicinal chemistry 13 (9), 1069-1097, 2013
302013
Detecting drug promiscuity using Gaussian ensemble screening
VI Pérez-Nueno, V Venkatraman, L Mavridis, DW Ritchie
Journal of chemical information and modeling 52 (8), 1948-1961, 2012
282012
Highly specific and sensitive pharmacophore model for identifying CXCR4 antagonists. Comparison with docking and shape-matching virtual screening performance
AS Karaboga, JM Planesas, F Petronin, J Teixidó, M Souchet, ...
Journal of chemical information and modeling 53 (5), 1043-1056, 2013
272013
GESSE: predicting drug side effects from drug–target relationships
VI Pérez-Nueno, M Souchet, AS Karaboga, DW Ritchie
Journal of Chemical Information and Modeling 55 (9), 1804-1823, 2015
262015
Biological Profiling of Anti‐HIV Agents and Insight into CCR5 Antagonist Binding Using in silico Techniques
A Carrieri, VI Pérez‐Nueno, A Fano, C Pistone, DW Ritchie, J Teixidó
ChemMedChem: Chemistry Enabling Drug Discovery 4 (7), 1153-1163, 2009
262009
Studying the binding interactions of allosteric agonists and antagonists of the CXCR4 receptor
JM Planesas, VI Pérez-Nueno, JI Borrell, J Teixidó
Journal of Molecular Graphics and Modelling 60, 1-14, 2015
252015
Impact of the CXCR4 structure on docking-based virtual screening of HIV entry inhibitors
JM Planesas, VI Pérez-Nueno, JI Borrell, J Teixidó
Journal of Molecular Graphics and Modelling 38, 123-136, 2012
252012
Novel monocyclam derivatives as HIV entry inhibitors: design, synthesis, anti‐HIV evaluation, and their interaction with the CXCR4 co‐receptor
S Pettersson, VI Pérez‐Nueno, MP Mena, B Clotet, JA Esté, JI Borrell, ...
ChemMedChem 5 (8), 1272-1281, 2010
252010
Discovery of novel non‐cyclam polynitrogenated CXCR4 coreceptor inhibitors
S Pettersson, VI Pérez‐Nueno, L Ros‐Blanco, R Puig de La Bellacasa, ...
ChemMedChem: Chemistry Enabling Drug Discovery 3 (10), 1549-1557, 2008
252008
GES polypharmacology fingerprints: a novel approach for drug repositioning
VI Pérez-Nueno, AS Karaboga, M Souchet, DW Ritchie
Journal of Chemical Information and Modeling 54 (3), 720-734, 2014
242014
Improving VEGFR-2 docking-based screening by pharmacophore postfiltering and similarity search postprocessing
JM Planesas, RM Claramunt, J Teixido, JI Borrell, VI Perez-Nueno
Journal of chemical information and modeling 51 (4), 777-787, 2011
242011
Computational proteomics pitfalls and challenges: HavanaBioinfo 2012 workshop report
Y Perez-Riverol, H Hermjakob, O Kohlbacher, L Martens, D Creasy, J Cox, ...
Journal of proteomics 87, 134-138, 2013
212013
Recent trends and applications in 3D virtual screening
L Ghemtio, V I Perez-Nueno, V Leroux, Y Asses, M Souchet, L Mavridis, ...
Combinatorial Chemistry & High Throughput Screening 15 (9), 749-769, 2012
192012
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