Exploració per tema "Proteins--Analysis"

Ara es mostren els items 1-10 de 10

    • Active-Site-Directed Inhibitors of Prolyl Oligopeptidase Abolish Its Conformational Dynamics 

      López, Abraham; Herranz-Trillo, Fátima; Kotev, Martin; Gairí, Margarida; Guallar, Victor; Bernadó, Pau; Millet, Oscar; Tarragó, Teresa; Giralt, Ernest (Wiley, 2016-05-17)
      Article
      Accés obert
      Deciphering conformational dynamics is crucial for understanding the biological functions of proteins and for designing compounds targeting them. In particular, providing an accurate description of microsecond–millisecond ...

    • Analysis of polyphenolic and protein content in craft and industrial beers 

      Garcia Burbano, Juliana (Universitat Politècnica de Catalunya, 2017-06)
      Treball Final de Grau
      Accés obert
      Beer is one of the most consumed drinks in the world. Both production and consumption of crafted beer show an upward trend, trying to recover the brewing tradition, whilst the industrially produced beer is aiming at a ...

    • 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 ...

    • 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 ...

    • CovMulNet19, Integrating Proteins, Diseases, Drugs, and Symptoms: A Network Medicine Approach to COVID-19 

      Verstraete, Nina; Jurman, Giuseppe; Bertagnolli, Giulia; Ghavasieh, Arsham; Pancaldi, Vera; Domenico, Manlio De (Mary Ann Liebert, 2020)
      Article
      Accés obert
      Introduction: We introduce in this study CovMulNet19, a comprehensive COVID-19 network containing all available known interactions involving SARS-CoV-2 proteins, interacting-human proteins, diseases and symptoms that are ...

    • 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 ...

    • 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 ...

    • Physics-Based Visual Characterization of Molecular Interaction Forces 

      Hermosilla, Pedro; Estrada, Jorge; Guallar, Victor; Ropinski, Timo; Vinacua, Álvar; Vázquez, Pere-Pau (IEEE, 2017-01)
      Article
      Accés obert
      Molecular design procedures, such as drug design and protein engineering’ are complex processes, largely benefiting from computational resources but also from human analysis. In drug design, for example, a costly iterative ...

    • 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 Lluís (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 obert
      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 ...