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A
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
Alvarez-garcia, D, Barril X.  2014.  Molecular Simulations with Solvent Competition Quantify Water Displaceability and Provide Accurate Interaction Maps of Protein Binding Sites. Journal of Medicinal Chemistry. :null. 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.
Aymami, J, Barril X, Rodríguez-pascau L, Martinell M.  2013.  Pharmacological chaperones for enzyme enhancement therapy in genetic diseases. 2:109-124.
B
Barril, X.  2014.  Ligand discovery: Docking points.. Nature chemistry. 6(7):560-561.
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, 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, Soliva R.  2006.  Molecular modelling. Molecular bioSystems. 2(12):660-681.
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, 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, 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, Hubbard RE, Morley SD.  2004.  Virtual screening in structure-based drug discovery. Mini reviews in medicinal chemistry. 4(7):779-791. 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, 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, 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
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
Brough, PA, Barril X, Beswick M, Dymock BW, Drysdale MJ, Wright L, Grant K, Massey A, Surgenor A, Workman P.  2005.  3-(5-Chloro-2,4-dihydroxyphenyl)-pyrazole-4-carboxamides as inhibitors of the Hsp90 molecular chaperone. Bioorganic & medicinal chemistry letters. 15(23):5197-5201. Abstract
Brough, PA, Barril X, Borgognoni J, Chene P, Davies NG, Davis B, Drysdale MJ, Dymock B, Eccles SA, Garcia-Echeverria C et al..  2009.  Combining hit identification strategies: fragment-based and in silico approaches to orally active 2-aminothieno[2,3-d]pyrimidine inhibitors of the Hsp90 molecular chaperone. Journal of medicinal chemistry. 52(15):4794-4809. Abstract
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
Butler, KT, Luque FJ, Barril X.  2009.  Toward accurate relative energy predictions of the bioactive conformation of drugs. Journal of computational chemistry. 30(4):601-610. Abstract
C
Campanera, JM, Barril X, Luque JF.  2013.  On the transferability of fractional contributions to the hydration free energy of amino acids. Theoretical Chemistry Accounts. 132(3):1343-1343.
Camps, P, Achab ER, Gorbig DM, Morral J, Munoz-Torrero D, Badia A, Banos EJ, Vivas NM, Barril X, Orozco M et al..  1999.  Synthesis, in vitro pharmacology, and molecular modeling of very potent tacrine-huperzine A hybrids as acetylcholinesterase inhibitors of potential interest for the treatment of Alzheimer's disease. Journal of medicinal chemistry. 42(17):3227-3242. Abstract
Camps, P, Gomez E, Munoz-Torrero D, Badia A, Vivas NM, Barril X, Orozco M, Luque FJ.  2001.  Synthesis, in vitro pharmacology, and molecular modeling of syn-huprines as acetylcholinesterase inhibitors. Journal of medicinal chemistry. 44(26):4733-4736. Abstract