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Perez, A, Sponer J, Jurecka P, Hobza P, Luque FJ, Orozco M.  2005.  Are the hydrogen bonds of RNA (AU) stronger than those of DNA (AT)? A quantum mechanics study Chemistry (Weinheim an der Bergstrasse, Germany). 11(17):5062-5066. Abstract
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Orozco, M, Perez A, Noy A, Luque FJ.  2003.  Theoretical methods for the simulation of nucleic acids. Chemical Society Reviews. 32(6):350-364. Abstract
Orozco, M, Luque FJ.  1988.  POEMS: program for outliers elimination in multidimensional space. Computer applications in the biosciences : CABIOS. 4(3):381-385. 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.  1990.  A practical procedure for the determination of electrostatic charges of large molecules. Journal of computer-aided molecular design. 4(4):411-426. Abstract
Orozco, M, Luque FJ.  1997.  Computer-assisted drug design: current status and future trends. Methods and findings in experimental and clinical pharmacology. 19 Suppl A:33-35.
Orozco, M, Luque FJ.  2000.  Theoretical Methods for the Description of the Solvent Effect in Biomolecular Systems. Chemical reviews. 100(11):4187-4226.
Orozco, M, Luque FJ.  2001.  Theoretical methods for the description of the solvent effect in biomolecular systems. (Chem. Rev. 2000, 100, 4187-4226. Published on the web oct 21, 2000.). Chemical reviews. 101(1):203-204.
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Noy, A, Soteras I, Luque FJ, Orozco M.  2009.  The impact of monovalent ion force field model in nucleic acids simulations. Physical chemistry chemical physics : PCCP. 11(45):10596-10607. Abstract
Noy, A, Perez A, Marquez M, Luque FJ, Orozco M.  2005.  Structure, recognition properties, and flexibility of the DNA.RNA hybrid. Journal of the American Chemical Society. 127(13):4910-4920. Abstract
Noy, A, Meyer T, Rueda M, Ferrer C, Valencia A, Perez A, de la Cruz X, Lopez-Bes JM, Pouplana R, Fernandez-Recio J et al..  2006.  Data mining of molecular dynamics trajectories of nucleic acids. Journal of Biomolecular Structure & Dynamics. 23(4):447-456. Abstract
Noy, A, Luque FJ, Orozco M.  2008.  Theoretical analysis of antisense duplexes: determinants of the RNase H susceptibility. Journal of the American Chemical Society. 130(11):3486-3496. Abstract
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Munoz-Ruiz, P, Rubio L, Garcia-Palomero E, Dorronsoro I, del Monte-Millan M, Valenzuela R, Usan P, de Austria C, Bartolini M, Andrisano V et al..  2005.  Design, synthesis, and biological evaluation of dual binding site acetylcholinesterase inhibitors: new disease-modifying agents for Alzheimer's disease. Journal of medicinal chemistry. 48(23):7223-7233. Abstract
Munoz-Muriedas, J, Barril X, Lopez JM, Orozco M, Luque FJ.  2007.  A hydrophobic similarity analysis of solvation effects on nucleic acid bases. Journal of molecular modeling. 13(2):357-365. Abstract
Munoz-Muriedas, J, Lopez JM, Orozco M, Luque FJ.  2004.  Molecular modelling approaches to the design of acetylcholinesterase inhibitors: new challenges for the treatment of Alzheimer's disease. Current pharmaceutical design. 10(25):3131-3140. Abstract
Munoz-Muriedas, J, Perspicace S, Bech N, Guccione S, Orozco M, Luque FJ.  2005.  Hydrophobic molecular similarity from MST fractional contributions to the octanol/water partition coefficient. Journal of computer-aided molecular design. 19(6):401-419. Abstract
Munoz, J, Barril X, Hernandez B, Orozco M, Luque FJ.  2002.  Hydrophobic similarity between molecules: a MST-based hydrophobic similarity index. Journal of computational chemistry. 23(5):554-563. 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
Morreale, A, de la Cruz X, Meyer T, Gelpi JL, Luque FJ, Orozco M.  2004.  Linear response theory: an alternative to PB and GB methods for the analysis of molecular dynamics trajectories? Proteins. 57(3):458-467. Abstract
Morreale, A, Gelpi JL, Luque FJ, Orozco M.  2003.  Continuum and discrete calculation of fractional contributions to solvation free energy. Journal of computational chemistry. 24(13):1610-1623. Abstract
Marco, JL, de los Rios C, Garcia AG, Villarroya M, Carreiras MC, Martins C, Eleuterio A, Morreale A, Orozco M, Luque FJ.  2004.  Synthesis, biological evaluation and molecular modelling of diversely functionalized heterocyclic derivatives as inhibitors of acetylcholinesterase/butyrylcholinesterase and modulators of Ca2+ channels and nicotinic receptors. Bioorganic & medicinal chemistry. 12(9):2199-2218. Abstract
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Luque, FJ, Curutchet C, Munoz-Muriedas J, Bidon-Chanal A, Soteras I, Morreale A, Gelpi JL, Orozco M.  2003.  Continuum solvation models: Dissecting the free energy of solvation. Physical Chemistry Chemical Physics. 5(18):3827-3836. Abstract
Luque, FJ, Barril X, Orozco M.  1999.  Fractional description of free energies of solvation. Journal of computer-aided molecular design. 13(2):139-152. Abstract
Luisi, B, Orozco M, Sponer J, Luque FJ, Shakked Z.  1998.  On the potential role of the amino nitrogen atom as a hydrogen bond acceptor in macromolecules. Journal of Molecular Biology. 279(5):1123-1136. Abstract
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Huertas, O, Poater J, Fuentes-Cabrera M, Orozco M, Sola M, Luque FJ.  2006.  Local aromaticity in natural nucleobases and their size-expanded benzo-fused derivatives. The journal of physical chemistry.A. 110(44):12249-12258. Abstract