Listar por tema "Theoretical model"

Mostrando ítems 1-4 de 4

    • A Hooke's law-based approach to protein folding rate 

      Ruiz-Blanco Y.B.; Marrero-Ponce Y.; Prieto P.J.; Salgado J.; García Y.; Sotomayor-Torres C.M. (Academic Press, 2015)
      Kinetics is a key aspect of the renowned protein folding problem. Here, we propose a comprehensive approach to folding kinetics where a polypeptide chain is assumed to behave as an elastic material described by the ...

    • IMMAN: free software for information theory-based chemometric analysis 

      Urias R.W.P.; Barigye S.J.; Marrero-Ponce Y.; García-Jacas C.R.; Valdes-Martiní J.R.; Perez-Gimenez F. (Kluwer Academic Publishers, 2015)
      Abstract: The features and theoretical background of a new and free computational program for chemometric analysis denominated IMMAN (acronym for Information theory-based CheMoMetrics ANalysis) are presented. This is ...

    • Multi-server approach for high-throughput molecular descriptors calculation based on multi-linear algebraic maps 

      García-Jacas C.R.; Aguilera-Mendoza, L.; González-Pérez R.; Marrero-Ponce Y.; Acevedo-Martínez L.; Barigye S.J.; Avdeenko T. (Wiley-VCH Verlag, 2015)
      The present report introduces a novel module of the QuBiLS-MIDAS software for the distributed computation of the 3D Multi-Linear algebraic molecular indices. The main motivation for developing this module is to deal with ...

    • Physico-Chemical and structural interpretation of discrete derivative indices on N-tuples atoms 

      Martínez-Santiago, O.; Marrero-Ponce, Y.; Barigye, S.J.; Thu, H.L.T.; Torres, Javier; Zambrano, C.H.; Muñiz Olite, J.L.; Cruz-Monteagudo, M.; Vivas-Reyes, R.; Infante, L.V.; Artiles Martínez, L.M. (MDPI AG, 2016)
      This report examines the interpretation of the Graph Derivative Indices (GDIs) from three different perspectives (i.e., in structural, steric and electronic terms). It is found that the individual vertex frequencies may ...

      Universidad Tecnológica de Bolívar - 2017 Institución de Educación Superior sujeta a inspección y vigilancia por el Ministerio de Educación Nacional. Resolución No 961 del 26 de octubre de 1970 a través de la cual la Gobernación de Bolívar otorga la Personería Jurídica a la Universidad Tecnológica de Bolívar.