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Spyrakis, F, Bruno S, Bidon-Chanal A, Luque FJ, Abbruzzetti S, Viappiani C, Dominici P, Mozzarelli A.  2011.  Oxygen binding to Arabidopsis thaliana AHb2 nonsymbiotic hemoglobin: evidence for a role in oxygen transport. IUBMB life. 63(5):355-362. Abstract
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Avino, A, Morales JC, Frieden M, de la Torre BG, Garcia RG, Cubero E, Luque FJ, Orozco M, Azorin F, Eritja R.  2001.  Parallel-stranded hairpins containing 8-aminopurines. Novel efficient probes for triple-helix formation. Bioorganic & medicinal chemistry letters. 11(13):1761-1763. Abstract
Morreale, A, de la Cruz X, Meyer T, Gelpi JL, Luque FJ, Orozco M.  2005.  Partition of protein solvation into group contributions from molecular dynamics simulations. Proteins. 58(1):101-109. Abstract
Soteras, I, Forti F, Orozco M, Luque FJ.  2009.  Performance of the IEF-MST solvation continuum model in a blind test prediction of hydration free energies. The journal of physical chemistry.B. 113(27):9330-9334. Abstract
Soteras, I, Orozco M, Luque FJ.  2010.  Performance of the IEF-MST solvation continuum model in the SAMPL2 blind test prediction of hydration and tautomerization free energies. Journal of computer-aided molecular design. 24(4):281-291. Abstract
Aymami, J, Barril X, Rodríguez-pascau L, Martinell M.  2013.  Pharmacological chaperones for enzyme enhancement therapy in genetic diseases. 2:109-124.
Curutchet, C, Kongsted J, Munoz-Losa A, Hossein-Nejad H, Scholes GD, Mennucci B.  2011.  Photosynthetic Light-Harvesting Is Tuned by the Heterogeneous Polarizable Environment of the Protein. Journal of the American Chemical Society. 133(9):3078-3084. Abstract
Orozco, M, Luque FJ.  1989.  POEAMS: program for outliers elimination in 'anomalous' multidimensional space. Computer applications in the biosciences : CABIOS. 5(3):241-242.
Orozco, M, Luque FJ.  1988.  POEMS: program for outliers elimination in multidimensional space. Computer applications in the biosciences : CABIOS. 4(3):381-385. Abstract
Ruiz-Rodriguez, J, Miguel M, Preciado S, Acosta GA, Adan J, Bidon-Chanal A, Luque FJ, Mitjans F, Lavilla R, Albericio F.  2014.  Polythiazole linkers as functional rigid connectors: A new RGD cyclopeptide with enhanced integrin selectivity. Chemical Science. 5
Orozco, M, Luque FJ.  1990.  A practical procedure for the determination of electrostatic charges of large molecules. Journal of computer-aided molecular design. 4(4):411-426. Abstract
Barril, X, Orozco M, Luque FJ.  1999.  Predicting relative binding free energies of tacrine-huperzine A hybrids as inhibitors of acetylcholinesterase. Journal of medicinal chemistry. 42(25):5110-5119. Abstract
Hernandez, B, Curutchet C, Colominas C, Orozco M, Luque FJ.  2002.  Prediction of conformational free energy differences of solutes in solution: An MC-MST study. Molecular Simulation. 28(1-2):153-171. Abstract
Bettati, S, Luque FJ, Viappiani C.  2011.  Protein dynamics: experimental and computational approaches. Biochimica et biophysica acta. 1814(8):913-915.
Spyrakis, F, BidonChanal A, Barril X, Luque FJ.  2011.  Protein flexibility and ligand recognition: challenges for molecular modeling. Current topics in medicinal chemistry. 11(2):192-210. Abstract
Camps, P, Formosa X, Galdeano C, Munoz-Torrero D, Ramirez L, Gomez E, Isambert N, Lavilla R, Badia A, Clos MV et al..  2009.  Pyrano[3,2-c]quinoline-6-chlorotacrine hybrids as a novel family of acetylcholinesterase- and beta-amyloid-directed anti-Alzheimer compounds. Journal of medicinal chemistry. 52(17):5365-5379. Abstract
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Ruiz, J, Lopez M, Mila J, Lozoya E, Lozano JJ, Pouplana R.  1993.  QSAR and conformational analysis of the antiinflammatory agent amfenac and analogues. Journal of computer-aided molecular design. 7(2):183-198. Abstract
Ruiz, J, Perez C, Pouplana R.  2003.  QSAR study of dual cyclooxygenase and 5-lipoxygenase inhibitors 2,6-di-tert-butylphenol derivatives. Bioorganic & medicinal chemistry. 11(19):4207-4216. Abstract
Munoz-Losa, A, Curutchet C, Fdez Galvan I, Mennucci B.  2008.  Quantum mechanical methods applied to excitation energy transfer: A comparative analysis on excitation energies and electronic couplings. Journal of Chemical Physics. 129(3) Abstract
Caprasecca, S, Curutchet C, Mennucci B.  2011.  Quantum mechanical study of the solvent-dependence of electronic energy transfer rates in a Bodipy closely-spaced dyad. Photochemical & Photobiological Sciences. 10(10):1602-1609. Abstract
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Barril, X, Kalko SG, Orozco M, Luque FJ.  2002.  Rational design of reversible acetylcholinesterase inhibitors. Mini reviews in medicinal chemistry. 2(1):27-36. Abstract
Ruiz-Carmona, S, Alvarez-garcia D, Foloppe N, a Garmendia-Doval B, Juhos S, Schmidtke P, Barril X, Hubbard RE, Morley DS.  2014.  rDock: a fast, versatile and open source program for docking ligands to proteins and nucleic acids.. PLoS computational biology. 10(4):e1003571-e1003571. Abstract
Rayo, J, Munoz L, Rosell G, Hammock BD, Guerrero A, Luque FJ, Pouplana R.  2010.  Reactivity versus steric effects in fluorinated ketones as esterase inhibitors: a quantum mechanical and molecular dynamics study. Journal of molecular modeling. 16(11):1753-1764. Abstract
Alvarez-garcia, D, Barril X.  2014.  Relationship between Protein Flexibility and Binding: Lessons for Structure-Based Drug Design. Journal of Chemical Theory and Computation. 10(6):140530064116003-140530064116003.
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