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

artículo científico publicado en 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.

artículo científico publicado en 2008

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

artículo científico publicado en 2010

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

artículo científico publicado en 2009

GES polypharmacology fingerprints: a novel approach for drug repositioning

artículo científico publicado en 2014

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

artículo científico publicado en 2015

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

artículo científico publicado en 2013

Identifying and characterizing promiscuous targets: implications for virtual screening.

artículo científico publicado en 2011

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

artículo científico publicado en 2012

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

artículo científico publicado el 18 de marzo de 2011

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

artículo científico publicado en 2010

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

artículo científico publicado en 2015

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

artículo científico publicado el 4 de junio de 2011

Using quantitative systems pharmacology for novel drug discovery.

artículo científico

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