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Article(10)
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Journal of Theoretical Biology(3)
Scientific Reports(2)
Antibiotics(1)
Frontiers in Chemistry(1)
Journal of Chemical Information and Modeling(1)
Complex 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:scopusFuzzy spherical truncation-based multi-linear protein descriptors: From their definition to application in structural-related pbkp_redictions
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:scopusExamining the pbkp_redictive accuracy of the novel 3D N-linear algebraic molecular codifications on benchmark datasets
ArticleAbstract: Background: Recently, novel 3D alignment-free molecular descriptors (also known as QuBiLS-MIDAS) basPalabras claves:3D-QSAR, multiple linear regression, QuBiLS-MIDAS, ToMoCoMD-CARDDAutores:César R. García-Jacas, Ernesto Contreras-Torres, Lisset Cabrera-Leyva, Pupo-Meriño M., Stephen Jones Barigye, Yovani Marrero-PonceFuentes:scopusMuLiMs-MCoMPAs: A Novel Multiplatform Framework to Compute Tensor Algebra-Based Three-Dimensional Protein Descriptors
ArticleAbstract: This report introduces the MuLiMs-MCoMPAs software (acronym for Multi-Linear Maps based on N-MetricPalabras claves:Autores:Brizuela C.A., César R. García-Jacas, Ernesto Contreras-Torres, Julio E. Terán, Sánchez-Rodríguez J.C., Yovani Marrero-PonceFuentes:scopusNovel 3D bio-macromolecular bilinear descriptors for protein science: Pbkp_redicting protein structural classes
ArticleAbstract: In the present study, we introduce novel 3D protein descriptors based on the bilinear algebraic formPalabras claves:3D protein descriptor, Bilinear form, Coulombic matrix, Lda, Protein structural classesAutores:Alvarado Y.J., César R. García-Jacas, Cubillan N., Ernesto Contreras-Torres, Stephen Jones Barigye, Yovani Marrero-PonceFuentes:scopusLEGO-based generalized set of two linear algebraic 3D bio-macro-molecular descriptors: Theory and validation by QSARs
ArticleAbstract: Novel 3D protein descriptors based on bilinear, quadratic and linear algebraic maps in Rn are proposPalabras claves:3D-protein descriptor, aggregation operator, Amino acid interaction, folding rate, Machine learning, METRICS, Normalization procedure, Protein structural classes, Two-linear algebraic formsAutores:César R. García-Jacas, Cubillan N., Ernesto Contreras-Torres, Julio E. Terán, Pérez-Giménez F., Valdés-Martiní J.R., Yovani Marrero-Ponce, Yunierkis Perez-CastilloFuentes:scopusSearching glycolate oxidase inhibitors based on QSAR, molecular docking, and molecular dynamic simulation approaches
ArticleAbstract: Primary hyperoxaluria type 1 (PHT1) treatment is mainly focused on inhibiting the enzyme glycolate oPalabras claves:Autores:Ernesto Contreras-Torres, José Luis Paz, Jose R. Mora, Marquez E.A., Nicolás Cabrera, Noel Perez, Patricio Javier Espinoza-Montero, Sebastian Cuesta, Yovani Marrero-PonceFuentes:googlescopusQuBiLS-MIDAS: A parallel free-software for molecular descriptors computation based on multilinear algebraic maps
ArticleAbstract: The present report introduces the QuBiLS-MIDAS software belonging to the ToMoCoMD-CARDD suite for thPalabras claves:3D N-linear indices, chemical development kit, double stochastic and mutual probability matrices, Java language, N-tuple simple stochastic, N-tuple spatial-(Dis)similarity matrix, QuBiLS-MIDAS, scalability, Speed up, ToMoCoMD-CARDDAutores:Acevedo-Martínez L., César R. García-Jacas, Ernesto Contreras-Torres, Stephen Jones Barigye, Valdés-Martiní J.R., Yovani Marrero-PonceFuentes:scopusPbkp_redicting structural classes of proteins by incorporating their global and local physicochemical and conformational properties into general Chou's PseAAC
ArticleAbstract: In this study, I introduce novel global and local 0D-protein descriptors based on a statistical quanPalabras claves:0D-protein descriptor, Amino acid-group, Amino acid-type, Nearest Neighbor, Protein structural classes, Total sum of squaresAutores:Ernesto Contreras-TorresFuentes:scopusTensor Algebra-based Geometrical (3D) Biomacro-Molecular Descriptors for Protein Research: Theory, Applications and Comparison with other Methods
ArticleAbstract: In this report, a new type of tridimensional (3D) biomacro-molecular descriptors for proteins are prPalabras claves:Autores:César R. García-Jacas, Enrique Terán, Ernesto Contreras-Torres, Fernando Javier Torres, Julio E. Terán, Vivas-Reyes R., Yovani Marrero-PonceFuentes:scopus