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Wright, L, Barril X, Dymock B, Sheridan L, Surgenor A, Beswick M, Drysdale M, Collier A, Massey A, Davies N et al..  2004.  Structure-activity relationships in purine-based inhibitor binding to HSP90 isoforms. Chemistry & biology. 11(6):775-785. Abstract
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Viayna, E, Sola I, Bartolini M, De Simone A, Tapia-Rojas C, Serrano FG, Sabate R, Juarez-Jimenez J, Perez B, Luque FJ et al..  2014.  Synthesis and multitarget biological profiling of a novel family of rhein derivatives as disease-modifying anti-Alzheimer agents. Journal of Medicinal Chemistry. 57
Viani, L, Curutchet C, Mennucci B.  2013.  Spatial and Electronic Correlations in the PE545 Light-Harvesting Complex. Journal of Physical Chemistry Letters. 4(3):372-377. Abstract
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Spyrakis, F, Luque FJ, Viappiani C.  2011.  Structural analysis in nonsymbiotic hemoglobins: what can we learn from inner cavities? Plant science : an international journal of experimental plant biology. 181(1):8-13. Abstract
Soteras, I, Lozano O, Escolano C, Orozco M, Amat M, Bosch J, Luque FJ.  2008.  Structure-directed reversion in the pi-facial stereoselective alkylation of chiral bicyclic lactams. The Journal of organic chemistry. 73(19):7756-7763. Abstract
Schmidtke, P, Luque FJ, Murray JB, Barril X.  2011.  Shielded Hydrogen Bonds as Structural Determinants of Binding Kinetics: Application in Drug Design. Journal of the American Chemical Society. Abstract
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Rueda, M, Kalko SG, Luque FJ, Orozco M.  2003.  The structure and dynamics of DNA in the gas phase. Journal of the American Chemical Society. 125(26):8007-8014. Abstract
Rondeau-Gagne, S, Curutchet C, Grenier F, Scholes GD, Morin J-F.  2010.  Synthesis, characterization and DFT calculations of new ethynyl-bridged C-60 derivatives. Tetrahedron. 66(23):4230-4242. Abstract
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Pouplana, R, Perez C, Sanchez J, Lozano JJ, Puig-Parellada P.  1999.  The structural and electronical factors that contribute affinity for the time-dependent inhibition of PGHS-1 by indomethacin, diclofenac and fenamates. Journal of computer-aided molecular design. 13(3):297-313. Abstract
Pouplana, R, Lozano JJ, Perez C, Ruiz J.  2002.  Structure-based QSAR study on differential inhibition of human prostaglandin endoperoxide H synthase-2 (COX-2) by nonsteroidal anti-inflammatory drugs. Journal of computer-aided molecular design. 16(10):683-709. Abstract
Perez-Areales, FJ, Di Pietro O, Espargaro A, Vallverdu-Queralt A, Galdeano C, Ragusa IM, Viayna E, Guillou C, Clos MV, B P et al..  2014.  Shogaol-huprine hybrids: Dual antioxidant and anticholinesterase agents with β-amyloid and tau anti-aggregating properties. Bioorganic Medicinal Chemistry. 22
Perez, DI, Palomo V, Perez C, Gil C, Dans PD, Luque FJ, Conde S, Martinez A.  2011.  Switching reversibility to irreversibility in glycogen synthase kinase 3 inhibitors: clues for specific design of new compounds. Journal of medicinal chemistry. 54(12):4042-4056. Abstract
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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
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Martinez, A, Alonso M, Castro A, Dorronsoro I, Gelpi JL, Luque FJ, Perez C, Moreno FJ.  2005.  SAR and 3D-QSAR studies on thiadiazolidinone derivatives: exploration of structural requirements for glycogen synthase kinase 3 inhibitors. Journal of medicinal chemistry. 48(23):7103-7112. Abstract
Marco, JL, de los Rios C, Garcia AG, Villarroya M, Carreiras MC, Martins C, Eleuterio A, Morreale A, Orozco M, Luque FJ.  2004.  Synthesis, biological evaluation and molecular modelling of diversely functionalized heterocyclic derivatives as inhibitors of acetylcholinesterase/butyrylcholinesterase and modulators of Ca2+ channels and nicotinic receptors. Bioorganic & medicinal chemistry. 12(9):2199-2218. Abstract
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Luque, FJ, Illas F, Pouplana R.  1989.  Structure-activity relationships of H2-receptor histamine antagonists based on quantum chemical methods. Progress in clinical and biological research. 291:373-376.
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Hennebicq, E, Beljonne D, Curutchet C, Scholes GD, Silbey RJ.  2009.  Shared-mode assisted resonant energy transfer in the weak coupling regime. Journal of Chemical Physics. 130(21) Abstract
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Girona, V, Pacareu C, Riera A, Pouplana R, Castillo M, Bolos J.  1988.  Spectrophotometric determination of the stability of an ampicillin-dicloxacillin suspension. Journal of pharmaceutical and biomedical analysis. 6(1):23-28. Abstract
Galdeano, C, Viayna E, Arroyo P, Bidon-Chanal A, Blas JR, Munoz-Torrero D, Luque FJ.  2010.  Structural determinants of the multifunctional profile of dual binding site acetylcholinesterase inhibitors as anti-Alzheimer agents. Current pharmaceutical design. 16(25):2818-2836. Abstract
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Faggiano, S, Abbruzzetti S, Spyrakis F, Grandi E, Viappiani C, Bruno S, Mozzarelli A, Cozzini P, Astegno A, Dominici P et al..  2009.  Structural plasticity and functional implications of internal cavities in distal mutants of type 1 non-symbiotic hemoglobin AHb1 from Arabidopsis thaliana. The journal of physical chemistry.B. 113(49):16028-16038. Abstract
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Curutchet, C, Feist FA, Van Averbeke B, Mennucci B, Jacob J, Muellen K, Basche T, Beljonne D.  2010.  Superexchange-mediated electronic energy transfer in a model dyad. Physical Chemistry Chemical Physics. 12(27):7378-7385. Abstract
Curutchet, C, Cammi R, Mennucci B, Corni S.  2006.  Self-consistent quantum mechanical model for the description of excitation energy transfers in molecules at interfaces. Journal of Chemical Physics. 125(5) Abstract
Curutchet, C, Orozco M, Luque FJ.  2001.  Solvation in octanol: Parametrization of the continuum MST model. Journal of Computational Chemistry. 22(11):1180-1193. Abstract
Correale, S, de Paola I, Morgillo CM, Federico A, Zaccaro L, P P, Galeone A, Fusco A, Pedone E, Luque FJ et al..  2014.  Structural model of the hUbA1-UbcH10 quaternary complex: In silicoand experimental analysis of the protein-protein interactions between E1, E2 and ubiquitin. Plos One. 9