Publications

Export 2536 results:
Author Title [ Type(Asc)] Year
Journal
I. H. Moal, Moretti, R., Baker, D., and Fernández-Recio, J., Scoring functions for protein-protein interactions., Current opinion in structural biology, vol. 23, no. 6. pp. 862-7, 2013.
C. Pons, Talavera, D., de la Cruz, X., Orozco, M., and Fernández-Recio, J., Scoring by intermolecular pairwise propensities of exposed residues (SIPPER): a new efficient potential for protein-protein docking., Journal of chemical information and modeling, vol. 51, no. 2. pp. 370-7, 2011.
H. Ltaief, Kurzak, J., Dongarra, J., and Badia, R. M., Scheduling Two-sided Transformations using Tile Algorithms on Multicore Architectures. Scientific Programming, vol 18(1), pages 35-50, 2010.
C. Boneti, Cazorla, F., Gioiosa, R., and Valero, M., Scheduling Real-Time Systems With Explicit Resource Allocation Processors. In International Conference on Architecture of Computing Systems (ARCS). Dresden, Germany, 2008.
G. Utrera, Corbalán, J., and Labarta, J., Scheduling parallel jobs on multicore clusters using CPU oversubscription, Journal of Supercomputing, vol. 68. pp. 1113–1140, 2014.
J. Kurzak, Ltaief, H., Dongarra, J., and Badia, R. M., Scheduling dense linear algebra operations on multicore processors. Concurrency and Computation: Practice and Experience, volume 22, issue 1, 2010.
V. Alexandrov, Scalable Stochastic and Hybrid Methods and Algorithms for Extreme Scale Computing, Procedia Computer Science, vol. 29. Elsevier, pp. pp. 1888–1892, 2014.
F. Sánchez, Cabarcas, F., Ramirez, A., and Valero, M., Scalable multicore architectures for long DNA sequence comparison, Concurrency and Computation Practice and Experience, vol. 23, no. 17. 2011.
C. Rosas, Giménez, J., and Labarta, J., Scalability Prediction for Fundamental Performance Factors, Supercomputing Frontiers and Innovation, vol. 1. Federal State Funded Educational Institution of Higher Professional Education, pp. 4-19, 2014.
A. Ramirez, Cabarcas, F., Juurlink, B., Mesa, M. A., Sánchez, F., Azevedo, A., Meenderinck, C., Ciobanu, C., Isaza, S., and Gaydadjiev, G. N., The SARC Architecture, IEEE Micro, vol. 30, no. 5. pp. 16-29, 2010.
J. L. Gelpí, Martínez, A., Alonso, A., Castro, A., Dorronsoro, I., Luque, F. J., Pérez, C., and Moreno, F. J., SAR and 3D-QSAR Studies on thiadiaolidinones (TDZDs) derivatives: Esploration of structural requeriments as glycogen synthase kinase 3 (GSK-3) inhibitors. J Med.Chem, 2005.
R. Gallisai, Peters, F., Volpe, G., Basart, S., and Baldasano, J. Maria, Saharan Dust Deposition May Affect Phytoplankton Growth in the Mediterranean Sea at Ecological Time Scales, PLoS ONE, vol. 9, no. 10. Public Library of Science, pp. 1-10, 2014.
M. Valero, Moreto, M., Casas, M., Ayguadé, E., and Labarta, J., Runtime-Aware Architectures: A First Approach, International Journal on Supercomputing Frontiers and Innovations, vol. 1. pp. 29-44, 2014.
J. Cabezas, Gelado, I., Stone, J. E., Navarro, N., Kirk, D. B., and Hwu, W. -meiW., Runtime and Architecture Support for Efficient Data Exchange in Multi-Accelerator Applications, IEEE Transactions on Parallel and Distributed Systems, vol. 25. 2014.
J. Costa, Cortes, T., Martorell, X., Ayguadé, E., and Labarta, J., Running OpenMP application efficiently on an everything-shared SDSM. Journal on Parallel and Distributed systems (JPDC), 2006.
V. Guallar and Olsen, B., The role of the heme propionates in heme biochemistry., Journal of inorganic biochemistry, vol. 100, no. 4. pp. 755-60, 2006.
A. Lama, Pawaria, S., Bidon-Chanal, A., Anand, A., Gelpí, J. L., Arya, S., Martí, M., Estrin, D. A., Luque, F. J., and Dikshit, K. L., Role of Pre-A motif in nitric oxide scavenging by truncated hemoglobin, HbN, of Mycobacterium tuberculosis., The Journal of biological chemistry, vol. 284, no. 21. pp. 14457-68, 2009.
N. Alexandrov, Alexandrov, V., and Ramírez Velarde, R., The Role of Computational Science and Emerging Technologies in the Natural Sciences Education at University Level, Procedia Computer Science, vol. 9. Elsevier, pp. 1789–1798, 2012.
A. Hernández-Ortega, Lucas, F., Ferreira, P., Medina, M., Guallar, V., and Martínez, A. T., Role of active site histidines in the two half-reactions of the aryl-alcohol oxidase catalytic cycle., Biochemistry, vol. 51, no. 33. pp. 6595-608, 2012.
A. Julià, Tortosa, R., Hernanz, J. M., Cañete, J. D., Fonseca, E., Ferrándiz, C., Unamuno, P., Puig, L., Fernández-Sueiro, J. L., Sanmartí, R., Rodríguez, J., Gratacós, J., Dauden, E., Sánchez-Carazo, J. L., López-Estebaranz, J. L., Moreno-Ramírez, D., Queiró, R., Montilla, C., Torre-Alonso, J. C., Pérez-Venegas, J. J., Vanaclocha, F., Herrera, E., Muñoz-Fernández, S., González, C., Roig, D., Erra, A., Acosta, I., Fernández-Nebro, A., Zarco, P., Alonso, A., López-Lasanta, M., García-Montero, A., Gelpí, J. L., Absher, D., and Marsal, S., Risk variants for psoriasis vulgaris in a large case-control collection and association with clinical subphenotypes., Human molecular genetics, vol. 21, no. 20. pp. 4549-57, 2012.
A. Folch, A review of tephra transport and dispersal models: Evolution, current status, and future perspectives, Journal of Volcanology and Geothermal Research, vol. 235 - 236. pp. 96 - 115, 2012.
R. C. Figueroa, Lopez, M. A., Gonzalez, E. J. P., Gil, M., and Martorell, X., Rendering of Bezier surfaces on handheld devices, Journal of WSCG (Plzen, Print), vol. 21. pp. 205–214, 2013.
S. González, Montserrat, B., Sánchez, F., Puiggros, M., Blanco, E., Ramirez, A., and Torrents, D., ReLA, a local alignment search tool for the identification of distal and proximal gene regulatory regions and their conserved transcription factor binding sites, Bioinformatics. 2012.
V. Daskalakis, Farantos, S. C., Guallar, V., and Varotsis, C., Regulation of electron and proton transfer by the protein matrix of cytochrome c oxidase., The journal of physical chemistry. B, vol. 115, no. 13. pp. 3648-55, 2011.
J. Zalamea, Llosa, J., Ayguadé, E., and Valero, M., Register-constrained Modulo Scheduling. IEEE Transactions on Parallel and Distributed Systems, 2004.
K. Haustein, Pérez, C., Baldasano, J. M., Müller, D., Tesche, M., Schladitz, A., Esselborn, M., Weinzierl, B., Kandler, K., and Hoyningen-Huene, V. W., Regional dust model performance during SAMUM 2006, Geophysical Research Letters, vol. 36, no. L03812. AMER GEOPHYSICAL UNION, UNITED STATES, pp. 1-6, 2009.
E. Terradellas, Baldasano, J. M., and Cuevas, E., Regional Center For Northern Africa, Middle East and Europe of the WMO Sand and Dust Storm Warning Advisory and Assessment System. Activity Report 2010-2012, World Meteorological Organization. World Meteorological Organization, 2014.
F. Artigas, Marti, A., Elefante, D., Mujeeb, A., and Yadlovski, E., A regional approach to geographic information sharing in northern New Jersey, USA, Digital Government Society of North America . 2008.
A. Pérez, Marchán, I., Svozil, D., Sponer, J., Cheatham, T. E., Laughton, C., and Orozco, M., Refinement of the AMBER force field for nucleic acids: improving the description of alpha/gamma conformers. Biophysical Journal 92, 3817-3829, 2007.
H. Owen, Houzeaux, G., Samaniego, C., Lesage, A. C., and Vázquez, M., Recent ship hydrodynamics developments in the parallel two–fluid flow solver Alya, Computers & Fluids, vol. 80. pp. 168-177, 2013.
H. Owen, Houzeaux, G., Samaniego, C., Lesage, A. C., and Vázquez, M., Recent ship hydrodynamics developments in the parallel two-fluid flow solver Alya, vol. 80. pp. 168-177, 2013.
G. G. Buffett, Pelegrí, J. L., de la Puente, J., and Carbonell, R., Real time visualization of thermohaline finestructure using Seismic Offset Groups, Methods in Oceanography. pp. 2211-1220, 2012.
A. Soba, Bea, E., Houzeaux, G., Calmet, H., and Cela, J. M., Real space density functional theory and time depending density functional theory using finite/infinite element methods, Comput. Phys. Comm. 2011.
B. Prisacari, Rodriguez, G., Jokanovic, A., and Minkenberg, C., Randomizing task placement and route choice does not randomize traffic (enough), Des. Autom. Embedded Syst., vol. 1. USA, 2014.
A. Miranda, Effert, S., Kang, Y., Miller, E., Popov, I., Brinkmann, A., Friedetzky, T., and Cortes, T., Random Slicing: Efficient and Scalable Data Placement for Large-Scale Storage Systems, ACM Transactions on Storage, vol. 10, no. 3. 2014.
A. Miranda, Effert, S., Kang, Y., Miller, E. L., Popov, I., Brinkmann, A., Friedetzky, T., and Cortes, T., Random Slicing: Efficient and Scalable Data Placement for Large-Scale Storage Systems, Transcations on Storage, vol. 10. 2014.
S. Rao, Bálint, S., Cossins, B. P., Guallar, V., and Petrov, D., Raman study of mechanically induced oxygenation state transition of red blood cells using optical tweezers., Biophysical journal, vol. 96, no. 1. pp. 209-16, 2009.
R. E. Alcantara, Xu, C., Spiro, T. G., and Guallar, V., A quantum-chemical picture of hemoglobin affinity., Proceedings of the National Academy of Sciences of the United States of America, vol. 104, no. 47. pp. 18451-5, 2007.
A. Costa, Folch, A., Macedonio, G., Giaccio, B., Isaia, R., and Smith, V. C., Quantifying volcanic ash dispersal and impact of the Campanian Ignimbrite super-eruption, Geophysical Research Letters, vol. 39. p. n/a–n/a, 2012.
M. C. Todd, Bou Karam, D., Cavazos, C., Bouet, C., Heinold, B., Baldasano, J. M., Cautenet, G., Koren, I., Pérez, C., Solmon, F., Tegen, I., Tulet, P., Washington, R., and Zakey, A., Quantifying uncertainty in estimates of mineral dust flux: An intercomparison of model performance over the Bodélé Depression, northern Chad, Journal of Geophysical Research, vol. 113, no. D24107. AMER GEOPHYSICAL UNION , 3.147, pp. 1-22, 2008.
F. Cazorla, Ramirez, A., Valero, M., Knijnenburg, P., Sakellariou, R., and Fernández, E., QoS for High-Performance SMT Processors in Embedded Systems, IEEE Micro, vol. 24. pp. 24-31, 2004.
V. Guallar and Wallrapp, F. H., QM/MM methods: looking inside heme proteins biochemistry., Biophysical chemistry, vol. 149, no. 1-2. pp. 1-11, 2010.
V. Guallar and Wallrapp, F., QM/MM methods: looking inside heme proteins biochemistry., Biophysical chemistry, vol. 149, no. 1-2. pp. 1-11, 2010.
V. A. Gil and Guallar, V., pyRMSD: a Python package for efficient pairwise RMSD matrix calculation and handling., Bioinformatics (Oxford, England), vol. 29, no. 18. pp. 2363-4, 2013.
V. Alejandro Gil and Guallar, V., pyProCT: Automated Cluster Analysis for Structural Bioinformatics, Journal of Chemical Theory and Computation. p. null, 2014.
B. Jiménez-García, Pons, C., and Fernández-Recio, J., pyDockWEB: a web server for rigid-body protein-protein docking using electrostatics and desolvation scoring., Bioinformatics (Oxford, England), vol. 29, no. 13. pp. 1698-9, 2013.
A. Solernou and Fernández-Recio, J., pyDockCG: new coarse-grained potential for protein-protein docking., The journal of physical chemistry. B, vol. 115, no. 19. pp. 6032-9, 2011.
L. Conde, Vaquerizas, J. M., Ferrer-Costa, C., de la Cruz, X., Orozco, M., and Dopazo, J., PupasView: A visual tool for selecting suitable SNPs with putative pathological effects in genes for geotyping purporses. Nucleic Acid. Res., 2005.
V. Guallar, Harris, D. L., Batista, V. S., and Miller, W. H., Proton-transfer dynamics in the activation of cytochrome P450eryF., Journal of the American Chemical Society, vol. 124, no. 7. pp. 1430-7, 2002.
T. Meyer, Gabelica, V., Grubmüller, H., and Orozco, M., Proteins in the gas phase. WIRES Comput.Mol.Sci, 2013.

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