Search Results - "Caballero Alfonso, Ana Yisel"

A KNIME Workflow to Assist the Analogue Identification for Read-Across, Applied to Aromatase Activity by Caballero Alfonso, Ana Yisel, Chayawan, Chayawan, Gadaleta, Domenico, Roncaglioni, Alessandra, Benfenati, Emilio

“…The reduction and replacement of in vivo tests have become crucial in terms of resources and animal benefits. The read-across approach reduces the number of…”
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Homology Modeling of the Human P-glycoprotein (ABCB1) and Insights into Ligand Binding through Molecular Docking Studies by Mora Lagares, Liadys, Minovski, Nikola, Caballero Alfonso, Ana Yisel, Benfenati, Emilio, Wellens, Sara, Culot, Maxime, Gosselet, Fabien, Novič, Marjana

“…The ABCB1 transporter also known as P-glycoprotein (P-gp) is a transmembrane protein belonging to the ATP binding cassette super-family of transporters; it is…”
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Ensemble-Based Modeling of Chemical Compounds with Antimalarial Activity by Caballero-Alfonso, Ana Yisel, Cruz-Monteagudo, Maykel, Tejera, Eduardo, Benfenati, Emilio, Borges, Fernanda, Cordeiro, M Natália D S, Armijos-Jaramillo, Vinicio, Perez-Castillo, Yunierkis

“…Malaria or Paludism is a tropical disease caused by parasites of the Plasmodium genre and transmitted to humans through the bite of infected mosquitos of the…”
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Skin sensitization quantitative QSAR models based on mechanistic structural alerts by Chayawan, Selvestrel, Gianluca, Baderna, Diego, Toma, Cosimo, Caballero Alfonso, Ana Yisel, Gamba, Alessio, Benfenati, Emilio

“…•Quantitative skin sensitization LLNA EC3 data of organic molecules was collected.•Two-Dimensional descriptors were computed to model the experimental LLNA EC3…”
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