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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 ...
Towards better BBB passage prediction using an extensive and curated data set
(Wiley-VCH Verlag, 2015)
In the present report, the challenging task of drug delivery across the blood-brain barrier (BBB) is addressed via a computational approach. The BBB passage was modeled using classification and regression schemes on a novel ...
Multi-output model with box-jenkins operators of quadratic indices for prediction of malaria and cancer inhibitors targeting ubiquitin-proteasome pathway (UPP) proteins
(Bentham Science Publishers B.V., 2016)
The ubiquitin-proteasome pathway (UPP) is the primary degradation system of short-lived regulatory proteins. Cellular processes such as the cell cycle, signal transduction, gene expression, DNA repair and apoptosis are ...
Optimum search strategies or novel 3D molecular descriptors: Is there a stalemate?
(Bentham Science Publishers B.V., 2015)
The present manuscript describes a novel 3D-QSAR alignment free method (QuBiLS-MIDAS Duplex) based on algebraic bilinear, quadratic and linear forms on the kth two-tuple spatial-(dis)similarity matrix. Generalization schemes ...
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 ...
Multi-server approach for high-throughput molecular descriptors calculation based on multi-linear algebraic maps
(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 ...
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.