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CompScore: Boosting Structure-Based Virtual Screening Performance by Incorporating Docking Scoring Function Components into Consensus Scoring
ArticleAbstract: Consensus scoring has become a commonly used strategy within structure-based virtual screening (VS)Palabras claves:Autores:Aminael Sánchez-Rodríguez, Borges F., Eduardo Tejera, Karina Beatríz Jimenes-Vargas, Mario González-Rodríguez, Maykel Cruz-Monteagudo, Natalia Dias Soeiro Cordeiro M., Stellamaris Sotomayor-Burneo, Vinicio Danilo Armijos-Jaramillo, Yunierkis Perez-CastilloFuentes:scopusHarmonization of QSAR Best Practices and Molecular Docking Provides an Efficient Virtual Screening Tool for Discovering New G-Quadruplex Ligands
ArticleAbstract: Telomeres and telomerase are key players in tumorogenesis. Among the various strategies proposed forPalabras claves:Autores:Borges F., Bourdoncle A., Castillo-González D., Cesar Paz-y-Miño, De Rache A., Eduardo Tejera, Garrigues T., Guédin A., Introcaso A., Mangiatordi G.F., Maykel Cruz-Monteagudo, Mergny J.L., Natalia Dias Soeiro Cordeiro M., Nicolotti O., Pallardó F., Pérez M.A.C., Pérez-Machado G.Fuentes:scopusJointly handling potency and toxicity of antimicrobial peptidomimetics by simple rules from desirability theory and chemoinformatics
ArticleAbstract: Today, emerging and increasing resistance to antibiotics has become a threat to public health worldwPalabras claves:Autores:Borges F., Maykel Cruz-Monteagudo, Natalia Dias Soeiro Cordeiro M.Fuentes:scopus