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Journal Articles
- 2013
[j8]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)- 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) - 2009
- [j6]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) - [j5]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
- [j4]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) - [j3]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) - 2007
- [j2]Obdulia Rabal, Rosalia Pascual, José I. Borrell, Jordi Teixidó:
Cell-Integral-Diversity Criterion: A Proposal for Minimizing Cluster Artifact in Cell-Based Selections. J. Chem. Inf. Model. 47(5): 1886-1896 (2007) - 2003
- [j1]Rosalia Pascual, Marta Mateu, Johann Gasteiger, José I. Borrell, Jordi Teixidó:
Design and Analysis of a Combinatorial Library of HEPT Analogues: Comparison of Selection Methodologies and Inspection of the Actually Covered Chemical Space. J. Chem. Inf. Comput. Sci. 43(1): 199-207 (2003)
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