Publications

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Grosdidier, S., Carbó, L.R., Buzón, V., Brooke, G., Nguyen, P., Baxter, J.D., Bevan, C., Webb, P., Estébanez-Perpiñá, E. & Fernández-Recio, J. Allosteric conversation in the androgen receptor ligand-binding domain surfaces. Molecular endocrinology (Baltimore, Md.) 26, 1078-90 (2012).
Taboureau, O., Baell, J.B., Fernández-Recio, J. & Villoutreix, B.O. Established and emerging trends in computational drug discovery in the structural genomics era. Chemistry & biology 19, 29-41 (2012).
Djebali, S., Lagarde, J., Kapranov, P., Lacroix, V., Borel, C., Mudge, J.M., Howald, C., Foissac, S., Ucla, C., Chrast, J., Ribeca, P., Martin, D., Murray, R.R., Yang, X., Ghamsari, L., Lin, C., Bell, I., Dumais, E., Drenkow, J., Tress, M.L., Gelpí, J.L., Orozco, M., Valencia, A., van Berkum, N.L., Lajoie, B.R., Vidal, M., Stamatoyannopoulos, J., Batut, P., Dobin, A., Harrow, J., Hubbard, T., Dekker, J., Frankish, A., Salehi-Ashtiani, K., Reymond, A., Antonarakis, S.E., Guigó, R. & Gingeras, T.R. Evidence for transcript networks composed of chimeric RNAs in human cells. PloS one 7, e28213 (2012).
Small, Y.A., Guallar, V., Soudackov, A.V. & Hammes-Schiffer, S. Hydrogen bonding pathways in human dihydroorotate dehydrogenase. The journal of physical chemistry. B 110, 19704-10 (2006).
Hospital, A., Andrio, P., Fenollosa, C., Cicin-Sain, D., Orozco, M. & Gelpí, J.L. MDWeb and MDMoby: an integrated web-based platform for molecular dynamics simulations. Bioinformatics (Oxford, England) 28, 1278-9 (2012).
Pons, C., Glaser, F. & Fernandez-Recio, J. Prediction of protein-binding areas by small-world residue networks and application to docking. BMC bioinformatics 12, 378 (2011).
Rao, S., Bálint, S., Cossins, B.P., Guallar, V. & Petrov, D. Raman study of mechanically induced oxygenation state transition of red blood cells using optical tweezers. Biophysical journal 96, 209-16 (2009).
Castaño, T., Wang, H., Campillo, N.E., Ballester, S., González-García, C., Hernández, J., Pérez, C., Cuenca, J., Pérez-Castillo, A., Martínez, A., Huertas, O., Gelpí, J.L., Luque, F.J., Ke, H. & Gil, C. Synthesis, structural analysis, and biological evaluation of thioxoquinazoline derivatives as phosphodiesterase 7 inhibitors. ChemMedChem 4, 866-76 (2009).
Fernandez-Recio, J. & Verma, C. Theory and simulation: complexity and emergence. Current opinion in structural biology 22, 127-9 (2012).
Perez, D.I., Conde, S., Pérez, C., Gil, C., Simon, D., Wandosell, F., Moreno, F.J., Gelpí, J.L., Luque, F.J. & Martínez, A. Thienylhalomethylketones: Irreversible glycogen synthase kinase 3 inhibitors as useful pharmacological tools. Bioorganic & medicinal chemistry 17, 6914-25 (2009).
Fernández-Real, J.M., Mercader, J.M., Ortega, F.J., Moreno-Navarrete, J.M., López-Romero, P. & Ricart, W. Transferrin receptor-1 gene polymorphisms are associated with type 2 diabetes. European journal of clinical investigation 40, 600-7 (2010).
Puente, X.S., Pinyol, M., Quesada, V., Conde, L., Ordóñez, G.R., Villamor, N., Escaramis, G., Jares, P., Beà, S., González-Díaz, M., Bassaganyas, L., Baumann, T., Juan, M., López-Guerra, M., Colomer, D., Tubío, J.M.C., López, C., Navarro, A., Tornador, C., Aymerich, M., Rozman, M., Hernández, J.M., Puente, D.A., Freije, J.M.P., Velasco, G., Gutiérrez-Fernández, A., Costa, D., Carrió, A., Guijarro, S., Enjuanes, A., Hernández, L., Yagüe, J., Nicolás, P., Romeo-Casabona, C.M., Himmelbauer, H., Castillo, E., Dohm, J.C., de Sanjosé, S., Piris, M.A., de Alava, E., San Miguel, J., Royo, R., Gelpí, J.L., Torrents, D., Orozco, M., Pisano, D.G., Valencia, A., Guigó, R., Bayés, M., Heath, S., Gut, M., Klatt, P., Marshall, J., Raine, K., Stebbings, L.A., Futreal, A.P., Stratton, M.R., Campbell, P.J., Gut, I., López-Guillermo, A., Estivill, X., Montserrat, E., López-Otín, C. & Campo, E. Whole-genome sequencing identifies recurrent mutations in chronic lymphocytic leukaemia. Nature 475, 101-5 (2011).
Ballana, E., Senserrich, J., Pauls, E., Faner, R., Mercader, J.M., Uyttebroeck, F., Palou, E., Mena, M.P., Grau, E., Clotet, B., Ruiz, L., Telenti, A., Ciuffi, A. & Esté, J.A. ZNRD1 (zinc ribbon domain-containing 1) is a host cellular factor that influences HIV-1 replication and disease progression. Clinical infectious diseases : an official publication of the Infectious Diseases Society of America 50, 1022-32 (2010).