Mostrando 10 resultados de: 31
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Antibiotics(6)
ACS Omega(3)
International Journal of Molecular Sciences(3)
PLoS ONE(2)
Amino Acids(1)
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Bioquímica(14)
Farmacología y terapéutica(14)
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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:Cancer, 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:googlescopusHybrid Computational Framework Integrating Ensemble Learning, Molecular Docking, and Dynamics for Predicting Antimalarial Efficacy of Malaria Box Compounds
ArticleAbstract: The emergence of drug-resistant strains of Plasmodium falciparum continues to challenge global malarPalabras claves:Classification, drug design, ensemble, Machine Learning, MALARIA, molecular dynamics, predictive models, regressionAutores:Agüero-Chapin G., César R. García-Jacas, Edgar A. Márquez Brazon, José Luis Paz, Jose R. Mora, Martín L. Moreno, Noel Perez, Sebastian CuestaFuentes:scopusMolecular Modeling of Vasodilatory Activity: Unveiling Novel Candidates Through Density Functional Theory, QSAR, and Molecular Dynamics
ArticleAbstract: Cardiovascular diseases (CVD) pose a significant global health challenge, requiring innovative theraPalabras claves:cardiovascular diseases, drug repurposing, molecular dynamics simulations, QSAR modelling, vasodilatorsAutores:Agüero-Chapin G., Bernal A., Domingo César Carrascal-Hernández, Flores-Morales V., Flores-Sumoza M., Insuasty D., José Luis Paz, Jose R. Mora, Juan Rodriguez-Macías, Marquez E.A., Mendoza-Mendoza A., Salazar F.J., Sebastian Cuesta, Yovani Marrero-PonceFuentes:scopusTI2BioP: 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:googlescopusElucidating the Racemization Mechanism of Aliphatic and Aromatic Amino Acids by In Silico Tools
ArticleAbstract: The racemization of biomolecules in the active site can reduce the biological activity of drugs, andPalabras claves:amino acids, density functional theory, intrinsic reaction coordinates, Natural bond orbital, RacemizationAutores:Agüero-Chapin G., Andino M.S., José Luis Paz, Jose R. Mora, Marquez E.A., Yunierkis Perez-CastilloFuentes:scopusA 2022 Update on Computational Approaches to the Discovery and Design of Antimicrobial Peptides
Abstract:Palabras claves:Autores:Agüero-Chapin G., Antunes A., Yovani Marrero-PonceFuentes:scopusDISTATIS: A Promising Framework to Integrate Distance Matrices in Molecular Phylogenetics
ArticleAbstract: BACKGROUND: Molecular phylogenetic algorithms frequently disagree with the approaches considering rePalabras claves:Alignment-free, Ascospore morphology, DISTATIS, ITS2, mating strategy, phylogeneticsAutores:Agüero-Chapin G., Aminael Sánchez-Rodríguez, Antunes A., Molina-Ruiz R., Oscar Vivanco-Galván, Yuliana Jiménez-GaonaFuentes: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:googlescopusAn alignment-free approach for eukaryotic ITS2 annotation and phylogenetic inference
ArticleAbstract: The ITS2 gene class shows a high sequence divergence among its members that have complicated its annPalabras claves:Autores:Agüero-Chapin G., Aminael Sánchez-Rodríguez, Antunes A., Hidalgo-Yanes P.I., Marchal K., Molina-Ruiz R., Vasconcelos V., Yunierkis Perez-CastilloFuentes: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:scopus