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Journal Article
Brough, PA, Aherne W, Barril X, Borgognoni J, Boxall K, Cansfield JE, Cheung KM, Collins I, Davies NG, Drysdale MJ et al..  2008.  4,5-diarylisoxazole Hsp90 chaperone inhibitors: potential therapeutic agents for the treatment of cancer. Journal of medicinal chemistry. 51(2):196-218. Abstract
Gabba, M, Abbruzzetti S, Spyrakis F, Forti F, Bruno S, Mozzarelli A, Luque FJ, Viappiani C, Cozzini P, Nardini M et al..  2013.  CO rebinding kinetics and molecular dynamics simulations highlight dynamic regulation of internal cavities in human cytoglobin. Plos One. 8:e49770.
Rodríguez-Amigo, B, Delcanale P, Rotger G, Juárez-Jiménez J, Abbruzzetti S, Summer A, Agut M, Luque F.J, Nonell S, Viappiani C.  2015.  The complex of hypericin with β-lactoglobulin has antimicrobial activity with potential applications in dairy industry. Journal of Dairy Science. 98:89-94. Abstract
Noy, A, Meyer T, Rueda M, Ferrer C, Valencia A, Perez A, de la Cruz X, Lopez-Bes JM, Pouplana R, Fernandez-Recio J et al..  2006.  Data mining of molecular dynamics trajectories of nucleic acids. Journal of Biomolecular Structure & Dynamics. 23(4):447-456. Abstract
Rey-Carrizo, M, Barniol-Xicota M, Ma C, Frigole-Vivas M, Torres E, Naesens L, Llabres S, Juarez-Jimenez J, Luque FJ, DeGrado WF et al..  2014.  Easily accessible polycyclic amines that inhibit the wild-type and amantadine-resistant mutants of the M2 channel of influenza A virus. Journal of Medicinal Chemistry. 57
Curutchet, C, Novoderezhkin VI, Kongsted J, Munoz-Losa A, van Grondelle R, Scholes GD, Mennucci B.  2013.  Energy Flow in the Cryptophyte PE545 Antenna Is Directed by Bilin Pigment Conformation. Journal of Physical Chemistry B. 117(16):4263-4273. Abstract
Novoa, E M, de Pouplana L R, Barril X, Orozco M.  2010.  Ensemble Docking from Homology Models. Journal of Chemical Theory and Computation. 6(8):2547-2557. Abstract
Novoderezhkin, VI, Doust AB, Curutchet C, Scholes GD, van Grondelle R.  2010.  Excitation Dynamics in Phycoerythrin 545: Modeling of Steady-State Spectra and Transient Absorption with Modified Redfield Theory. Biophysical Journal. 99(2):344-352. Abstract
Duque, MD, Ma C, Torres E, Wang J, Naesens L, Juarez-Jimenez J, Camps P, Luque FJ, DeGrado WF, Lamb RA et al..  2011.  Exploring the size limit of templates for inhibitors of the M2 ion channel of influenza A virus. Journal of medicinal chemistry. 54(8):2646-2657. Abstract
Howes, R, Barril X, Dymock BW, Grant K, Northfield CJ, Robertson AG, Surgenor A, Wayne J, Wright L, James K et al..  2006.  A fluorescence polarization assay for inhibitors of Hsp90. Analytical Biochemistry. 350(2):202-213. Abstract
Capece, L, Marti MA, Bidon-Chanal A, Nadra A, Luque FJ, Estrin DA.  2009.  High pressure reveals structural determinants for globin hexacoordination: neuroglobin and myoglobin cases. Proteins. 75(4):885-894. Abstract
Noy, A, Soteras I, Luque FJ, Orozco M.  2009.  The impact of monovalent ion force field model in nucleic acids simulations. Physical chemistry chemical physics : PCCP. 11(45):10596-10607. Abstract
Forti, F, Boechi L, Bikiel D, Marti MA, Nardini M, Bolognesi M, Viappiani C, Estrin D, Luque FJ.  2011.  Ligand Migration in Methanosarcina acetivorans Protoglobin: Effects of Ligand Binding and Dimeric Assembly. The journal of physical chemistry.B. Abstract
Rey-Carrizo, M, Gazzarrini S, Llabrés S, Frigolé-Vivas M, Juárez-Jiménez J, Font-Bardia M, Naesens L, Moroni A, Luque JF, Vázquez S.  2015.  New polycyclic dual inhibitors of the wild type and the V27A mutant M2 channel of the influenza A virus with unexpected binding mode. European Journal of Medicinal Chemistry. 96:318-329. Abstract
Perez, A, Noy A, Lankas F, Luque FJ, Orozco M.  2004.  The relative flexibility of B-DNA and A-RNA duplexes: database analysis. Nucleic acids research. 32(20):6144-6151. Abstract
Bikiel, DE, Forti F, Boechi L, Nardini M, Luque FJ, Marti MA, Estrin DA.  2010.  Role of heme distortion on oxygen affinity in heme proteins: the protoglobin case. The journal of physical chemistry.B. 114(25):8536-8543. Abstract
Marco, E, Negri A, Luque FJ, Gago F.  2005.  Role of stacking interactions in the binding sequence preferences of DNA bis-intercalators: insight from thermodynamic integration free energy simulations. Nucleic acids research. 33(19):6214-6224. Abstract
Noy, A, Perez A, Marquez M, Luque FJ, Orozco M.  2005.  Structure, recognition properties, and flexibility of the DNA.RNA hybrid. Journal of the American Chemical Society. 127(13):4910-4920. Abstract
Neugebauer, J, Curutchet C, Munoz-Losa A, Mennucci B.  2010.  A Subsystem TDDFT Approach for Solvent Screening Effects on Excitation Energy Transfer Couplings. Journal of Chemical Theory and Computation. 6(6):1843-1851. Abstract
Noy, A, Luque FJ, Orozco M.  2008.  Theoretical analysis of antisense duplexes: determinants of the RNase H susceptibility. Journal of the American Chemical Society. 130(11):3486-3496. Abstract
Orozco, M, Perez A, Noy A, Luque FJ.  2003.  Theoretical methods for the simulation of nucleic acids. Chemical Society Reviews. 32(6):350-364. Abstract
Aguilar, H, Urruticoechea A, Halonen P, Kiyotani K, Mushiroda T, Barril X, Serra-Musach J, Islam A, Caizzi L, Di Croce L et al..  2014.  VAV3 mediates resistance to breast cancer endocrine therapy.. Breast cancer research : BCR. 16(3):R53-R53. Abstract