Mostrando 7 resultados de: 7
Filtros aplicados
Publisher
SAR and QSAR in Environmental Research(2)
Chemical Research in Toxicology(1)
Journal of Chemical Information and Modeling(1)
Journal of Theoretical Biology(1)
Molecular Diversity(1)
Área temáticas
Biología(2)
Bioquímica(2)
Medicina y salud(2)
Química analítica(2)
Farmacología y terapéutica(1)
Área de conocimiento
Bioquímica(1)
Ciencias de la computación(1)
Ingeniería química(1)
Microbiología(1)
Proteína(1)
Origen
scopus(7)
Conformation-dependent QSAR approach for the pbkp_rediction of inhibitory activity of bromodomain modulators
ArticleAbstract: Epigenetic drug discovery is a promising research field with growing interest in the scientific commPalabras claves:3D molecular descriptors, Applicability domain, Bromodomains, epigenetic drug discovery, QSAR, QuBiLS-MIDAS, ToMoCoMD-CARDDAutores:César R. García-Jacas, Martinez-Mayorga K., Medina-Franco J.L., Yovani Marrero-PonceFuentes:scopusEnhancing Acute Oral Toxicity Pbkp_redictions by using Consensus Modeling and Algebraic Form-Based 0D-to-2D Molecular Encodes
ArticleAbstract: Quantitative structure-activity relationships (QSAR) are introduced to pbkp_redict acute oral toxiciPalabras claves:Autores:César R. García-Jacas, Cortés-Guzmán F., García-González L.A., José Suárez-Lezcano, Martinez-Mayorga K., Martinez-Rios F.O., Pupo-Meriño M., Yovani Marrero-PonceFuentes:scopusErratum: Alignment-Free Antimicrobial Peptide Pbkp_redictors: Improving Performance by a Thorough Analysis of the Largest Available Data Set (J. Chem. Inf. Model. (2021) 61:6 (3141−3157) DOI: 10.1021/acs.jcim.1c00251)
OtherAbstract: The conflict of interest declaration should read as follows: “M.K.G. has an equity interest in and iPalabras claves:Autores:Brizuela C.A., César R. García-Jacas, Gilson M.K., Pinacho-Castellanos S.A.Fuentes: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:scopusIMMAN: free software for information theory-based chemometric analysis
ArticleAbstract: Abstract: The features and theoretical background of a new and free computational program for chemomPalabras claves:chemometric analysis, classification, Computational program, feature selection, IMMAN, Information-theoretic functionAutores:César R. García-Jacas, Pérez-Giménez F., Stephen Jones Barigye, Urias R.W.P., Valdés-Martiní J.R., Yovani Marrero-PonceFuentes: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:scopusTensor algebra-based geometric methodology to codify central chirality on organic molecules
ArticleAbstract: A novel mathematical procedure to codify chiral features of organic molecules in the QuBiLS-MIDAS frPalabras claves:chirality, fenoterol stereoisomer derivatives, N-alkylated 3-(3-hydroxyphenyl)-piperidines, perindoprilat stereoisomers, QSAR, QuBiLS-MIDAS, stereochemistry, ToMoCoMD-CARDDAutores:Aguilera-Fernández I., César R. García-Jacas, Hernández-Ortega T., Ledesma-Romero J.C., Lisset Cabrera-Leyva, Martinez-Mayorga K., Rodríguez-León A.R., Yovani Marrero-PonceFuentes:scopus