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List of works by Violeta I Pérez-Nueno

APIF: a new interaction fingerprint based on atom pairs and its application to virtual screening.

scientific article published in May 2009

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.

scientific article published in November 2008

Comprehensive comparison of ligand-based virtual screening tools against the DUD data set reveals limitations of current 3D methods.

scientific article

Discovery of novel HIV entry inhibitors for the CXCR4 receptor by prospective virtual screening.

scientific article

GES polypharmacology fingerprints: a novel approach for drug repositioning

scientific article published on 17 February 2014

GESSE: Predicting Drug Side Effects from Drug-Target Relationships.

scientific article published on 7 August 2015

Highly specific and sensitive pharmacophore model for identifying CXCR4 antagonists. Comparison with docking and shape-matching virtual screening performance.

scientific article

Identifying and characterizing promiscuous targets: implications for virtual screening.

scientific article

Impact of the CXCR4 structure on docking-based virtual screening of HIV entry inhibitors.

scientific article

Improving VEGFR-2 Docking-Based Screening by Pharmacophore Postfiltering and Similarity Search Postprocessing ⬇️

scientific article published on March 18, 2011

Novel monocyclam derivatives as HIV entry inhibitors: Design, synthesis, anti-HIV evaluation, and their interaction with the CXCR4 co-receptor.

scientific article

Studying the binding interactions of allosteric agonists and antagonists of the CXCR4 receptor.

scientific article

Using Consensus-Shape Clustering To Identify Promiscuous Ligands and Protein Targets and To Choose the Right Query for Shape-Based Virtual Screening ⬇️

scientific article published on 04 June 2011

Using quantitative systems pharmacology for novel drug discovery.

scientific article published on 02 September 2015

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