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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
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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.
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Faustino, I, Curutchet C, Luque JF, Orozco M.  2014.  The DNA-forming properties of 6-selenoguanine. Phys. Chem. Chem. Phys.. 16:1101-1110. Abstract
Forti, F, Cavasotto CN, Orozco M, Barril X, Luque JF.  2012.  A Multilevel Strategy for the Exploration of the Conformational Flexibility of Small Molecules. Journal of Chemical Theory and Computation. 8(5):1808-1819.
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Juárez-Jiménez, J, Barril X, Orozco M, Pouplana R, Luque JF.  2015.  Assessing the Suitability of the Multilevel Strategy for the Conformational Analysis of Small Ligands. The Journal of Physical Chemistry B. 119:1164-1172. Abstract
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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