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A 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:googlescopusComplex Networks Analyses of Antibiofilm Peptides: An Emerging Tool for Next-Generation Antimicrobials’ Discovery
ArticleAbstract: Microbial biofilms cause several environmental and industrial issues, even affecting human health. APalabras claves:antibiofilm peptide, centrality measure, chemical space, Complex network, motif discovery, StarPep toolboxAutores:Agüero-Chapin G., Antunes A., César H. Zambrano, Ernesto Contreras-Torres, Jose R. Mora, Martinez-Rios F.O., Noel Perez, Valdés-Martiní J.R., Yovani Marrero-PonceFuentes:scopusComputational chemistry development of a unified free energy Markov Model for the distribution of 1300 chemicals to 38 different environmental or biological systems
ArticleAbstract: Predicting tissue and environmental distribution of chemicals is of major importance for environmentPalabras claves:Chem-informatics, Chemicals environmental distribution, Free energy, Markov models, Partition coefficients, quantitative structure-property relationshipsAutores:Agüero-Chapin G., Borges F., Dominguez E.R., González‐díaz H., Maykel Cruz-Monteagudo, Podda G., Santana L., Uriarte E.Fuentes:scopusAlignment-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:googlescopusFuzzy spherical truncation-based multi-linear protein descriptors: From their definition to application in structural-related predictions
ArticleAbstract: This study introduces a set of fuzzy spherically truncated three-dimensional (3D) multi-linear descrPalabras claves:3D-protein descriptors, folding rate, fuzzy membership degree, fuzzy membership functions, MuLiMs-MCoMPAs, multi-linear algebraic forms, SCOP structural classes tensor algebra-based fuzzy spherically truncated descriptors for protein Science, spherical truncationAutores:Agüero-Chapin G., Antunes A., César R. García-Jacas, Ernesto Contreras-Torres, Julio E. Terán, Yovani Marrero-PonceFuentes:scopusExploring the Adenylation Domain Repertoire of Nonribosomal Peptide Synthetases Using an Ensemble of Sequence-Search Methods
ArticleAbstract: The introduction of two-dimension (2D) graphs and their numerical characterization for comparative aPalabras claves:Autores:Agüero-Chapin G., Aminael Sánchez-Rodríguez, Antunes A., de la Riva G.A., Maldonado E., Molina-Ruiz R., Vasconcelos V.Fuentes:googlescopusEmerging 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:googlescopusMMM-QSAR recognition of ribonucleases without alignment: Comparison with an HMM model and isolation from Schizosaccharomyces pombe, prediction, and experimental assay of a new sequence
ArticleAbstract: The study of type III RNases constitutes an important area in molecular biology. It is known that thPalabras claves:Autores:Agüero-Chapin G., Aminael Sánchez-Rodríguez, de la Riva G.A., González‐díaz H., Podda G., Rodríguez E., Vazquez-Padron R.I.Fuentes:googlescopusMulti-target QSPR assemble of a Complex Network for the distribution of chemicals to biphasic systems and biological tissues
ArticleAbstract: Chemometrics, that based prediction on the probability of chemical distribution to different systemsPalabras claves:antibacterial compounds, Antimicrobial drugs, complex networks, Markov chains, Partition coefficient, QSPR, Spectral moments, tissue distribution, topological indicesAutores:Agüero-Chapin G., Castañeda-Cancio N., del Río M., González‐díaz H., Maykel Cruz-Monteagudo, Pérez M.A.C., Uriarte E.Fuentes: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:scopus