Enviaments recents

  • Information Retrieval and Text Mining Technologies for Chemistry 

    Krallinger, Martin; Rabal, Obdulia; Lourenço, Anália; Oyarzabal, Julen; Valencia, Alfonso (American Chemical Society, 2017-05-05)
    Article
    Accés restringit per política de l'editorial
    Efficient access to chemical information contained in scientific literature, patents, technical reports, or the web is a pressing need shared by researchers and patent attorneys from different chemical disciplines. Retrieval ...
  • ChiPPI: a novel method for mapping chimeric protein–protein interactions uncovers selection principles of protein fusion events in cancer 

    Frenkel-Morgenstern, Milana; Gorohovski, Alessandro; Tagore, Somnath; Sekar, Vaishnovi; Vazquez, Miguel; Valencia, Alfonso (Oxford University Press, 2017-05-26)
    Article
    Accés obert
    Fusion proteins, comprising peptides deriving from the translation of two parental genes, are produced in cancer by chromosomal aberrations. The expressed fusion protein incorporates domains of both parental proteins. Using ...
  • Mapping the Long-Range Electron Transfer Route in Ligninolytic Peroxidases 

    Acebes, Sandra; Ruiz-Dueñas, Francisco J.; Toubes, Mario; Sáez-Jiménez, Veronica; Pérez-Boada, Marta; Lucas, M. Fatima; Martínez, Angel T.; Guallar, Victor (ACS Publications, 2017-04-04)
    Article
    Accés restringit per política de l'editorial
    Combining a computational analysis with site-directed mutagenesis, we have studied the long-range electron transfer pathway in versatile and lignin peroxidases, two enzymes of biotechnological interest that play a key role ...
  • Interactive GPU-based generation of solvent-excluded surfaces 

    Hermosilla, Pedro; Krone, Michael; Guallar, Victor; Vázquez, Pere-Pau; Vinacua, Àlvar; Ropinski, Timo (Springer International Publishing, 2017-06)
    Article
    Accés restringit per política de l'editorial
    The solvent-excluded surface (SES) is a popular molecular representation that gives the boundary of the molecular volume with respect to a specific solvent. SESs depict which areas of a molecule are accessible by a specific ...
  • A systematic analysis of scoring functions in rigid-body protein docking: The delicate balance between the predictive rate improvement and the risk of overtraining 

    Barradas-Bautista, Didier; Moal, Iain H.; Fernández-Recio, Juan (Wiley, 2017-07)
    Article
    Accés restringit per política de l'editorial
    Protein-protein interactions play fundamental roles in biological processes including signaling, metabolism, and trafficking. While the structure of a protein complex reveals crucial details about the interaction, it is ...
  • Structural and energy determinants in protein-RNA docking 

    Pérez-Cano, Laura; Romero-Durana, Miguel; Fernández-Recio, Juan (Elsevier, 2017-04-15)
    Article
    Accés restringit per política de l'editorial
    Deciphering the structural and energetic determinants of protein-RNA interactions harbors the potential to understand key cell processes at molecular level, such as gene expression and regulation. With this purpose, ...
  • IRaPPA: information retrieval based integration of biophysical models for protein assembly selection 

    Moal, Iain H.; Barradas-Bautista, Didier; Jiménez-Garcia, Brian; Torchala, Mieczyslaw; van der Velde, Arjan; Vreven, Thom; Weng, Zhiping; Bates, Paul A.; Fernández-Recio, Juan (Oxford University Press, 2017-02-14)
    Article
    Accés obert
    Motivation: In order to function, proteins frequently bind to one another and form 3D assemblies. Knowledge of the atomic details of these structures helps our understanding of how proteins work together, how mutations can ...
  • A molecular hypothesis to explain direct and inverse co-morbidities between Alzheimer’s Disease, Glioblastoma and Lung cancer 

    Sánchez-Valle, Jon; Tejero, Héctor; Ibáñez, Kristina; Portero, Jose L.; Krallinger, Martin; Al-Shahrour, Fátima; Tabarés-Seisdedos, Rafael; Baudot, Anaïs; Valencia, Alfonso (Nature Publishing Group, 2017-06-30)
    Article
    Accés obert
    Epidemiological studies indicate that patients suffering from Alzheimer’s disease have a lower risk of developing lung cancer, and suggest a higher risk of developing glioblastoma. Here we explore the molecular scenarios ...
  • LimTox: a web tool for applied text mining of adverse event and toxicity associations of compounds, drugs and genes 

    Cañada, Andres; Capella-Gutierrez, Salvador; Rabal, Obdulia; Oyarzabal, Julen; Valencia, Alfonso; Krallinger, Martin (Oxford University Press, 2017-05-22)
    Article
    Accés obert
    A considerable effort has been devoted to retrieve systematically information for genes and proteins as well as relationships between them. Despite the importance of chemical compounds and drugs as a central bio-entity in ...
  • Recent progress in the quantitative validation of JOREK simulations of ELMs in JET 

    Pamela, S.J.P.; Huijsmans, G.T.A.; Eich, T.; Saarelma, S.; Lupelli, I.; Maggi, C.F.; Giroud, C.; Chapman, I.T.; Smith, S.F.; Frassinetti, L.; Becoulet, M.; Hoelzl, M.; Orain, F.; Futatani, S.; JET Contributors (IOP Publishing, 2017-05-16)
    Article
    Accés restringit per política de l'editorial
    Future devices like JT-60SA, ITER and DEMO require quantitative predictions of pedestal density and temperature levels, as well as inter-ELM and ELM divertor heat fluxes, in order to improve global confinement capabilities ...

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