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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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Forti, F, Cavasotto CN, Orozco M, Barril X, Luque FJ.  2012.  A Multilevel Strategy for the Exploration of the Conformational Flexibility of Small Molecules. J. Chem. Theory Comput.. 8
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