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Ciencias de la computación(13)
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Comparación de estrategias aglomerativas combinatorias tipo Ward usando conjuntos de datos quimioinformáticos y descriptores moleculares reales seleccionados por técnicas de …
OtherAbstract: El trabajo aborda la temática de los algoritmos de conglomerados combinatorios y su aplicación en prPalabras claves:Autores:Yovani Marrero-PonceFuentes:googleBond, Bond-Type, and Total Linear Indices of the non-Stochastic and Stochastic Edge Adjacency Matrix. 1. Theory and QSPR Studies
OtherAbstract: Novel bond-level molecular descriptors based on linear maps similar to those defined in algebra theoPalabras claves:Autores:Yovani Marrero-PonceFuentes:google3D-Chiral quadratic indices of the ‘molecular pseudograph’s atom adjacency matrix’and their application to central chirality codification: classification of ACE inhibitors and …
OtherAbstract: Quadratic indices of the ‘molecular pseudograph’s atom adjacency matrix’ have been generalized to coPalabras claves:Autores:Yovani Marrero-PonceFuentes:googleAplicación de Métodos de Integración Numérica a la Resolución de Ecuaciones Diferenciales Ordinarias Implicadas en Fenómenos de Naturaleza Física, Química, Ingenieril y …
OtherAbstract: El presente trabajo aborda el tema de la resolución de disímiles problemas (de índole físico, químicPalabras claves:Autores:Yovani Marrero-PonceFuentes:googleGlobal stability of protein folding from an empirical free energy function
ArticleAbstract: The principles governing protein folding stand as one of the biggest challenges of Biophysics. ModelPalabras claves:Empirical potential for proteins, Pbkp_rediction of protein folding stability, PROTCALAutores:García Y., Paz W., Ruiz-Blanco Y.B., Salgado J., Yovani Marrero-PonceFuentes:googlescopusExtended GT-STAF information indices based on Markov approximation models
ArticleAbstract: A series of novel information theory-based molecular parameters derived from the insight of a molecuPalabras claves:Autores:Alfonso-Reguera V., Pérez-Giménez F., Stephen Jones Barigye, Yovani Marrero-PonceFuentes:scopusExtending graph (discrete) derivative descriptors to N-tuple atom-relations
ArticleAbstract: In the present manuscript, an extension of the previously defined Graph Derivative Indices (GDIs) isPalabras claves:Autores:Cabrera R.M., De León J.O.G., Martínez L.M.A., Pérez-Giménez F., Santiago O.M., Stephen Jones Barigye, Torrens F., Yoan Martínez López, Yovani Marrero-PonceFuentes:scopusExpanding the Current Boundaries of Nature-based Modeling and Computing: Chem-Inspiration for Meta-Heuristics
OtherAbstract: High-throughput methods in science have created a trend to generate massive amount of data that chalPalabras claves:Autores:Yovani Marrero-PonceFuentes:googleMulti-output model with Box–Jenkins operators of linear indices to pbkp_redict multi-target inhibitors of ubiquitin–proteasome pathway
ArticleAbstract: The ubiquitin–proteasome pathway (UPP) plays an important role in the degradation of cellular proteiPalabras claves:CHEMBL, Moving averages, Multi-scale and multi-output models, multi-target, QSAR, Ubiquitin–proteasome pathway inhibitorsAutores:Abad C., Gerardo M. Casañola-Martin, González‐díaz H., Merino-Sanjuán M., Pérez-Giménez F., Thu H.L.T., Yovani Marrero-PonceFuentes:scopusMulti-server approach for high-throughput molecular descriptors calculation based on multi-linear algebraic maps
ArticleAbstract: The present report introduces a novel module of the QuBiLS-MIDAS software for the distributed computPalabras claves:3D N-linear algebraic descriptors, Distributed computing system, Multi-server architecture, Platform of distributed tasks, QuBiLS-MIDAS, T-arenal, ToMoCoMD-CARDDAutores:Acevedo-Martinez L., Aguilera-Mendoza L., Avdeenko T., César R. García-Jacas, González-Pérez R., Stephen Jones Barigye, Yovani Marrero-PonceFuentes:scopus