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Automatic construction of molecular similarity networks for visual graph mining in chemical space of bioactive peptides: an unsupervised learning approach
ArticleAbstract: The increasing interest in bioactive peptides with therapeutic potentials has been reflected in a laPalabras claves:Autores:Aguilera-Mendoza L., Beltran J.A., Brizuela C.A., César R. García-Jacas, Chavez E., Guillen-Ramirez H.A., Yovani Marrero-PonceFuentes:scopusA Novel Network Science and Similarity-Searching-Based Approach for Discovering Potential Tumor-Homing Peptides from Antimicrobials
ArticleAbstract: Peptide-based drugs are promising anticancer candidates due to their biocompatibility and low toxiciPalabras claves:Cáncer, centrality measure, chemical space network, Complex network, group fusion, in silico drug discovery, motif discovery, Similarity searching, starPep toolbox software, tumor-homing peptideAutores:Agüero-Chapin G., Aguilera-Mendoza L., Antunes A., Hortensia Rodriguez Cabrera, Martinez-Rios F.O., Maylin Romero, Yovani Marrero-PonceFuentes:googlescopusGraph-based data integration from bioactive peptide databases of pharmaceutical interest: Toward an organized collection enabling visual network analysis
ArticleAbstract: Bioactive peptides have gained great attention in the academy and pharmaceutical industry since theyPalabras claves:Autores:Aguilera-Mendoza L., Beltran J.A., Brizuela C.A., Guillen-Ramirez H.A., Tellez-Ibarra R., Yovani Marrero-PonceFuentes:googlescopusDistributed and multicore QuBiLS-MIDAS software v2.0: Computing chiral, fuzzy, weighted and truncated geometrical molecular descriptors based on tensor algebra
ArticleAbstract: Advances to the distributed, multi-core and fully cross-platform QuBiLS-MIDAS software v2.0 (http://Palabras claves:chiral molecular descriptor, Choquet Integral, fuzzy membership function, fuzzy molecular descriptor, fuzzy spherical truncation, geometrical (3D) molecular descriptor, GOWA aggregation operator, GOWAWA aggregation operator, QuBiLS-MIDAS software, weighted molecular descriptorAutores:Aguilera-Mendoza L., César R. García-Jacas, José Suárez-Lezcano, Julio E. Terán, Martinez-Rios F.O., Vivas-Reyes R., Yovani Marrero-PonceFuentes:scopusMulti-server approach for high-throughput molecular descriptors calculation based on multi-linear algebraic maps
ArticleAbstract: The present report introduces a novel module of the QuBiLS-MIDAS software for the distributed computPalabras claves:3D N-linear algebraic descriptors, Distributed computing system, Multi-server architecture, Platform of distributed tasks, QuBiLS-MIDAS, T-arenal, ToMoCoMD-CARDDAutores:Acevedo-Martinez L., Aguilera-Mendoza L., Avdeenko T., César R. García-Jacas, González-Pérez R., Stephen Jones Barigye, Yovani Marrero-PonceFuentes:scopusNetwork Science and Group Fusion Similarity-Based Searching to Explore the Chemical Space of Antiparasitic Peptides
ArticleAbstract: Antimicrobial peptides (AMPs) have appeared as promising compounds to treat a wide range of diseasesPalabras claves:Autores:Agüero-Chapin G., Aguilera-Mendoza L., Ana Cristina Aguilar, Antunes A., Noel Perez, Sebastián Ayala-Ruano, Yovani Marrero-PonceFuentes:scopusOverlap and diversity in antimicrobial peptide databases: Compiling a non-redundant set of sequences
ArticleAbstract: Motivation: The large variety of antimicrobial peptide (AMP) databases developed to date are charactPalabras claves:Autores:Aguilera-Mendoza L., Liu J., Llorente-Quesada M.T., Salgado J., Stephen Jones Barigye, Tellez-Ibarra R., Yovani Marrero-PonceFuentes:scopus