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Bidon-Chanal, A, Fuertes A, Alonso D, Perez DI, Martinez A, Luque FJ, Medina M.  2013.  Evidence for a new binding mode to GSK-3: Allosteric regulation by the marine compound pallinurin. European Journal of Medicinal Chemistry. 60:479-489.
Bettati, S, Luque FJ, Viappiani C.  2011.  Protein dynamics: experimental and computational approaches. Biochimica et biophysica acta. 1814(8):913-915.
Beljonne, D, Curutchet C, Scholes GD, Silbey RJ.  2009.  Beyond Forster Resonance Energy Transfer in Biological and Nanoscale Systems. Journal of Physical Chemistry B. 113(19):6583-6599. Abstract
Baurin, N, Aboul-Ela F, Barril X, Davis B, Drysdale M, Dymock B, Finch H, Fromont C, Richardson C, Simmonite H et al..  2004.  Design and characterization of libraries of molecular fragments for use in NMR screening against protein targets. Journal of chemical information and computer sciences. 44(6):2157-2166. Abstract
Barril, X, Aleman C, Orozco M, Luque FJ.  1998.  Salt bridge interactions: stability of the ionic and neutral complexes in the gas phase, in solution, and in proteins. Proteins. 32(1):67-79. Abstract
Barril, X, Beswick MC, Collier A, Drysdale MJ, Dymock BW, Fink A, Grant K, Howes R, Jordan AM, Massey A et al..  2006.  4-Amino derivatives of the Hsp90 inhibitor CCT018159. Bioorganic & medicinal chemistry letters. 16(9):2543-2548. Abstract
Barril, X, Brough P, Drysdale M, Hubbard RE, Massey A, Surgenor A, Wright L.  2005.  Structure-based discovery of a new class of Hsp90 inhibitors. Bioorganic & medicinal chemistry letters. 15(23):5187-5191. Abstract
Barril, X, Hubbard RE, Morley SD.  2004.  Virtual screening in structure-based drug discovery. Mini reviews in medicinal chemistry. 4(7):779-791. Abstract
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
Barril, X, Morley SD.  2005.  Unveiling the full potential of flexible receptor docking using multiple crystallographic structures. Journal of medicinal chemistry. 48(13):4432-4443. Abstract
Barril, X, Orozco M, Luque FJ.  2001.  Towards improved acetylcholinesterase inhibitors: a structural and computational approach. Mini reviews in medicinal chemistry. 1(3):255-266. 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
Barril, X, Soliva R.  2006.  Molecular modelling. Molecular bioSystems. 2(12):660-681.
Barril, X, Luque JF.  2012.  Molecular simulation methods in drug discovery: a prospective outlook.. Journal of computer-aided molecular design. 26(1):81-6. Abstract
Barril, X, Luque JF.  2012.  Molecular simulation methods in drug discovery: a prospective outlook.. Journal of computer-aided molecular design. 26(1):81-6. Abstract
Barril, X.  2013.  Druggability predictions: methods, limitations, and applications. Wiley Interdisciplinary Reviews: Computational Molecular Science. 3(4):327-338. Abstract
Barril, X.  2014.  Ligand discovery: Docking points.. Nature chemistry. 6(7):560-561.
Barril, X, Luque FJ.  2012.  Molecular simulation methods in drug discovery: a prospective outlook. J. Comput.-Aided Mol. Des.. 26(1)
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Aymami, J, Barril X, Rodríguez-pascau L, Martinell M.  2013.  Pharmacological chaperones for enzyme enhancement therapy in genetic diseases. 2:109-124.
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
Arroniz, C, Escolano C, Luque FJ, Bosch J, Amat M.  2011.  First asymmetric cascade reaction catalysed by chiral primary aminoalcohols. Organic & biomolecular chemistry. 9(14):5079-5085. Abstract
Arroniz, C, Molina J, Abas S, Molins E, Campanera JM, Luque FJ, Escolano C.  2013.  First diastereoselective [3+2] cycloaddition reaction of diethyl isocyanomethylphosphonate and maleimides. Organic and Biomolecular Chemistry. 11:1640-1649.
Andrews, DL, Curutchet C, Scholes GD.  2011.  Resonance energy transfer: Beyond the limits. Laser & Photonics Reviews. 5(1):114-123. Abstract
Amat, M, Perez M, Llor N, Escolano C, Luque FJ, Molins E, Bosch J.  2004.  Conjugate additions to phenylglycinol-derived unsaturated delta-lactams. Enantioselective synthesis of uleine alkaloids. The Journal of organic chemistry. 69(25):8681-8693. 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.