• Evolutionary computation and QSAR research 

      Aguiar-Pulido, Vanessa; Gestal, Marcos; Cruz-Monteagudo, Maykel; Rabuñal, Juan R.; Dorado, Julián; Munteanu, Cristian-Robert (Bentham Science, 2013)
      [Abstract] The successful high throughput screening of molecule libraries for a specific biological property is one of the main improvements in drug discovery. The virtual molecular filtering and screening relies greatly ...
    • Graph-based processing of macromolecular information 

      Munteanu, Cristian-Robert; Aguiar-Pulido, Vanessa; Freire, Ana; Martínez-Romero, Marcos; Porto-Pazos, Ana B.; Pereira-Loureiro, Javier; Dorado, Julián (Bentham Science, 2015)
      [Abstract] The complex information encoded into the element connectivity of a system gives rise to the possibility of graphical processing of divisible systems by using the Graph theory. An application in this sense is the ...
    • Kernel-based feature selection techniques for transport proteins based on star graph topological indices 

      Fernández-Lozano, Carlos; Gestal, Marcos; Pedreira Souto, Nieves; Postelnicu, Lucian; Dorado, Julián; Munteanu, Cristian-Robert (Bentham, 2013)
      [Abstract] The transport of the molecules inside cells is a very important topic, especially in Drug Metabolism. The experimental testing of the new proteins for the transporter molecular function is expensive and inefficient ...
    • Markov mean properties for cell death-related protein classification 

      Fernández-Lozano, Carlos; Gestal, Marcos; González-Díaz, Humberto; Dorado, Julián; Pazos, A.; Munteanu, Cristian-Robert (Elsevier, 2014-01-31)
      [Abstract] The cell death (CD) is a dynamic biological function involved in physiological and pathological processes. Due to the complexity of CD, there is a demand for fast theoretical methods that can help to find new ...
    • Modelos multi-escala de inteligencia artificial para diseño quimio-informático y fármaco-epidemiológico de terapias anti-VIH en Condados de Estados Unidos 

      Herrera Ibatá, Diana María (2015)
      [Resumen]Los métodos que relacionan la estructura química con la actividad biológica se conocen como “relaciones cuantitativas estructura-actividad” (en adelante QSAR). Es fundamental entender y cuantificar la relación ...
    • Prediction of nucleoitide binding peptides using star graph topological indices 

      Liu, Yong; Munteanu, Cristian-Robert; Fernández-Blanco, Enrique; Tan, Zhiliang; Santos-del-Riego, Antonino; Pazos, A. (Elsevier, 2015-08-05)
      [Abstract] The nucleotide binding proteins are involved in many important cellular processes, such as transmission of genetic information or energy transfer and storage. Therefore, the screening of new peptides for this ...