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Harmonization 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:scopusEmerging Computational Approaches for Antimicrobial Peptide Discovery
ReviewAbstract: In the last two decades many reports have addressed the application of artificial intelligence (AI)Palabras claves:Amps, Artificial Intelligence, complex networks, Evolutionary algorithms, Machine learning, Molecular descriptors, proteogenomicsAutores:Agüero-Chapin G., Antunes A., Domínguez-Pérez D., Galpert-Cañizares D., Pérez-Machado G., Teijeira M., Yovani Marrero-PonceFuentes:googlescopusAlignment-free methods for the detection and specificity prediction of adenylation domains
Book PartAbstract: Identifying adenylation domains (A-domains) and their substrate specificity can aid the detection ofPalabras claves:Adenylation domains, Alignment-free models, NRPS, topological indices, Transductive support vector machinesAutores:Agüero-Chapin G., Aminael Sánchez-Rodríguez, Antunes A., Pérez-Machado G., Santos M.Fuentes:googlescopusNon-linear models based on simple topological indices to identify RNase III protein members
ArticleAbstract: Alignment-free classifiers are especially useful in the functional classification of protein classesPalabras claves:Alignment-free models, artificial neural networks, Clustering, Decision tree models, Spectral momentsAutores:Agüero-Chapin G., Aminael Sánchez-Rodríguez, Antunes A., de la Riva G.A., Molina-Ruiz R., Pérez-Machado G., Vasconcelos V.Fuentes:googlescopusTI2BioP: Topological Indices to BioPolymers. Its practical use to unravel cryptic bacteriocin-like domains
ArticleAbstract: Bacteriocins are proteinaceous toxins produced and exported by both gram-negative and gram-positivePalabras claves:Alignment methods, Artificial secondary structure, Bacteriocin, Spectral moments, topological indicesAutores:Agüero-Chapin G., Antunes A., Molina-Ruiz R., Morales-Helguera A., Pérez-Machado G., Vasconcelos V., Yunierkis Perez-CastilloFuentes:googlescopus