Enviaments recents

  • 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 ...
  • PMut: a web-based tool for the annotation of pathological variants on proteins, 2017 update 

    López-Ferrando, Víctor; Gazzo, Andrea; de la Cruz, Xavier; Orozco, Modesto; Gelpí, Josep Ll. (Oxford University Press, 2017-04-27)
    Article
    Accés obert
    We present here a full update of the PMut predictor, active since 2005 and with a large acceptance in the field of predicting Mendelian pathological mutations. PMut internal engine has been renewed, and converted into a ...
  • Simulating Substrate Recognition and Oxidation in Laccases: From Description to Design 

    Lucas, M. Fatima; Monza, Emanuele; Jorgensen, Lise J.; Ernst, Heidi A.; Piontek, Klaus; Bjerrum, Morten J.; Martinez, Angel T.; Camarero, Susana; Guallar, Victor (2017-02-10)
    Article
    Accés restringit per política de l'editorial
    To meet the very specific requirements demanded by industry, proteins must be appropriately tailored. Engineering laccases, to improve the oxidation of small molecules, with applications in multiple fields, is, however, a ...
  • Probing the Surface of a Laccase for Clues towards the Design of Chemo-Enzymatic Catalysts 

    Robert, Viviane; Monza, Emanuele; Tarrago, Lionel; Sancho, Ferran; de Falco, Ana; Schneider, Ludovic; Ngoutane, Eloïne N.; Mekmouche, Yasmina; Pailley, Pierre R.; Simaan, A. Jalila; Guallar, Victor; Tron, Thierry (Wiley, 2017-04)
    Article
    Accés obert
    Systems featuring a multi-copper oxidase associated with transition-metal complexes can be used to perform oxidation reactions in mild conditions. Here, a strategy is presented for achieving a controlled orientation of a ...
  • Structural bases for the interaction and stabilization of the human amino acid transporter LAT2 with its ancillary protein 4F2hc 

    Rosell, Albert; Meury, Marcel; Alvarez-Marimon, Elena; Costa, Meritxell; Pérez-Cano, Laura; Zorzano, Antonio; Fernández-Recio, Juan; Palacín, Manuel; Fotiadis, Dimitrios (National Academy of Sciences, 2014-02-25)
    Article
    Accés obert
    Heteromeric amino acid transporters (HATs) are the unique example, known in all kingdoms of life, of solute transporters composed of two subunits linked by a conserved disulfide bridge. In metazoans, the heavy subunit is ...
  • CCharPPI web server: computational characterization of protein–protein interactions from structure 

    Moal, Iain H.; Jiménez-Garcia, Brian; Fernández-Recio, Juan (Oxford University Press, 2014-09-02)
    Article
    Accés obert
    The atomic structures of protein–protein interactions are central to understanding their role in biological systems, and a wide variety of biophysical functions and potentials have been developed for their characterization ...
  • Optimization of protein–protein docking for predicting Fc–protein interactions 

    Agostino, Mark; Mancera, Ricardo L.; Ramsland, Paul A.; Fernández-Recio, Juan (Wiley, 2016-07-22)
    Article
    Accés obert
    The antibody crystallizable fragment (Fc) is recognized by effector proteins as part of the immune system. Pathogens produce proteins that bind Fc in order to subvert or evade the immune response. The structural characterization ...
  • Blind prediction of interfacial water positions in CAPRI 

    Lensink, Marc F.; Moal, Iain H.; Bates, Paul A.; Kastritis, Panagiotis L.; Melquiond, Adrien S.J.; Karaca, Ezgi; Schmitz, Christophe; van Dijk, Marc; Bonvin, Alexandre M.J.J.; Eisenstein, Miriam; Jiménez-Garcia, Brian; Grosdidier, Solène; Solernou, Albert; Pérez-Cano, Laura; Pallara, Chiara; Fernández-Recio, Juan; Xu, Jianqing; Muthu, Pravin; Kilambi, Krishna P.; Gray, Jeffrey J.; Grudinin, Sergei; Derevyanko, Georgy; Mitchell, Julie C.; Wieting, John; Kanamori, Eiji; Tsuchiya, Yuko; Murakami, Yoichi; Sarmiento, Joy; Standley, Daron M.; Shirota, Matsuyuki; Kinoshita, Kengo; Nakamura, Haruki; Chavent, Matthieu; Ritchie, David W.; Park, Hahnbeom; Ko, Junsu; Lee, Hasup; Seok, Chaok; Shen, Yang; Kozakov, Dima; Vajda, Sandor; Kundrotas, Petras J.; Vakser, Ilya A.; Pierce, Brian G.; Hwang, Howook; Vreven, Thom; Weng, Zhiping; Buch, Idit; Farkash, Efrat; Wolfson, Haim J.; Zacharias, Martin; Qin, Sanbo; Zhou, Huan-Xiang; Huang, Shen-You; Zou, Xiaoqin; Wojdyla, Justyna A.; Kleanthous, Colin; Wodak, Shoshana J. (Wiley, 2014-04)
    Article
    Accés obert
    We report the first assessment of blind predictions of water positions at protein–protein interfaces, performed as part of the critical assessment of predicted interactions (CAPRI) community-wide experiment. Groups submitting ...
  • Exploring Binding Mechanisms in Nuclear Hormone Receptors by Monte Carlo and X-ray-derived Motions 

    Grebner, Christoph; Lecina, Daniel; Gil, Victor; Ulander, Johan; Hansson, Pia; Dellsen, Anita; Tyrchan, Christian; Edman, Karl; Hogner, Anders; Guallar, Victor (Biophysical Society, 2017-03-28)
    Article
    Accés restringit per política de l'editorial
    In this study, we performed an extensive exploration of the ligand entry mechanism for members of the steroid nuclear hormone receptor family (androgen receptor, estrogen receptor α, glucocorticoid receptor, mineralocorticoid ...

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