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A physics-based scoring function for protein structural decoys: Dynamic testing on targets of CASP-ROLL
ArticleAbstract: Most successful structure prediction strategies use knowledge-based functions for global optimizatioPalabras claves:Autores:Amilkar Puris, Bello R.R., García Y., Green J.R., Ruiz-Blanco Y.B., Sotomayor-Torres C.M., Yovani Marrero-PonceFuentes:scopusMachine Learning Study of Metabolic Networks vs ChEMBL Data of Antibacterial Compounds
ArticleAbstract: Antibacterial drugs (AD) change the metabolic status of bacteria, contributing to bacterial death. HPalabras claves:antibacterial compounds, CHEMBL, complex networks, Information Fusion, Machine learning, multidrug-resistant, perturbation theoryAutores:Gerardo M. Casañola-Martin, González‐díaz H., Green J.R., Karel Diéguez-Santana, Rasulev B., Roldán Torres GutiérrezFuentes:googlescopusPredicting metabolic reaction networks with Perturbation-Theory Machine Learning (PTML) models
ArticleAbstract: Background: Checking the connectivity (structure) of complex Metabolic Reaction Networks (MRNs) modePalabras claves:Combinatorial perturbation theory models, complex networks, Linear invariants, Machine learning, Markov chains, Metabolic pathwaysAutores:Gerardo M. Casañola-Martin, González‐díaz H., Green J.R., Karel Diéguez-Santana, Rasulev B.Fuentes:googlescopusPrediction of aquatic toxicity of benzene derivatives using molecular descriptor from atomic weighted vectors
ArticleAbstract: Several descriptors from atom weighted vectors are used in the prediction of aquatic toxicity of setPalabras claves:aggregation operator, Aquatic toxicity, Atom weighted vector, molecular descriptor, multiple linear regression, Variability analysisAutores:Garit J., Green J.R., Oscar Martínez Santiago, Stephen Jones Barigye, Yoan Martínez López, Yovani Marrero-PonceFuentes:scopusProtDCal: A program to compute general-purpose-numerical descriptors for sequences and 3D-structures of proteins
ArticleAbstract: Background: The exponential growth of protein structural and sequence databases is enabling multifacPalabras claves:Data Mining, PROTDCAL, Protein descriptors, Protein feature generation, Protein function modellingAutores:Green J.R., Paz W., Ruiz-Blanco Y.B., Yovani Marrero-PonceFuentes:googlescopusNovel “extended sequons” of human N-glycosylation sites improve the precision of qualitative predictions: an alignment-free study of pattern recognition using ProtDCal protein features
ArticleAbstract: N-Glycosylation is a common post-translational modification that plays an important role in the propPalabras claves:Glycosylation motif, post-translational modification, Protein descriptor, PTMAutores:García-Hernández E., Green J.R., Ruiz-Blanco Y.B., Yovani Marrero-PonceFuentes:googlescopus