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A Hooke's law-based approach to protein folding rate
(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 ...
Relational Agreement Measures for Similarity Searching of Cheminformatic Data Sets
(Institute of Electrical and Electronics Engineers Inc., 2016)
Research on similarity searching of cheminformatic data sets has been focused on similarity measures using fingerprints. However, nominal scales are the least informative of all metric scales, increasing the tied similarity ...
QuBiLs-MAS method in early drug discovery and rational drug identification of antifungal agents
(Taylor and Francis Ltd., 2015)
The QuBiLs-MAS approach is used for the in silico modelling of the antifungal activity of organic molecules. To this effect, non-stochastic (NS) and simple-stochastic (SS) atom-based quadratic indices are used to codify ...
Novel 3D bio-macromolecular bilinear descriptors for protein science: Predicting protein structural classes
(Academic Press, 2015)
In the present study, we introduce novel 3D protein descriptors based on the bilinear algebraic form in the ℝn space on the coulombic matrix. For the calculation of these descriptors, macromolecular vectors belonging to ...
Generalized molecular descriptors derived from event-based discrete derivative
(Bentham Science Publishers B.V., 2016)
In the present study, a generalized approach for molecular structure characterization is introduced, based on the relation frequency matrix (F) representation of the molecular graph and the subsequent calculation of the ...
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.