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C
Cubero, E, Guimil-Garcia R, Luque FJ, Eritja R, Orozco M.  2001.  The effect of amino groups on the stability of DNA duplexes and triplexes based on purines derived from inosine. Nucleic acids research. 29(12):2522-2534. Abstract
Cubero, E, Avino A, de la Torre BG, Frieden M, Eritja R, Luque FJ, Gonzalez C, Orozco M.  2002.  Hoogsteen-based parallel-stranded duplexes of DNA. Effect of 8-amino-purine derivatives. Journal of the American Chemical Society. 124(12):3133-3142. Abstract
Cubero, E, Abrescia NG, Subirana JA, Luque FJ, Orozco M.  2003.  Theoretical study of a new DNA structure: the antiparallel Hoogsteen duplex. Journal of the American Chemical Society. 125(47):14603-14612. Abstract
Crespo, A, Marti MA, Kalko SG, Morreale A, Orozco M, Gelpi JL, Luque FJ, Estrin DA.  2005.  Theoretical study of the truncated hemoglobin HbN: exploring the molecular basis of the NO detoxification mechanism. Journal of the American Chemical Society. 127(12):4433-4444. Abstract
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
Camps, P, Achab ER, Morral J, Munoz-Torrero D, Badia A, Banos JE, Vivas NM, Barril X, Orozco M, Luque FJ.  2000.  New tacrine-huperzine A hybrids (huprines): highly potent tight-binding acetylcholinesterase inhibitors of interest for the treatment of Alzheimer's disease. Journal of medicinal chemistry. 43(24):4657-4666. Abstract
B
Blas, JR, Marquez M, Sessler JL, Luque FJ, Orozco M.  2002.  Theoretical study of anion binding to calix[4]pyrrole: the effects of solvent, fluorine substitution, cosolute, and water traces. Journal of the American Chemical Society. 124(43):12796-12805. Abstract
Blas, JR, Huertas O, Tabares C, Sumpter BG, Fuentes-Cabrera M, Orozco M, Ordejon P, Luque FJ.  2011.  Structural, dynamical, and electronic transport properties of modified DNA duplexes containing size-expanded nucleobases. The journal of physical chemistry.A. 115(41):11344-11354. Abstract
Blas, JR, Lopez-Bes JM, Marquez M, Sessler JL, Luque FJ, Orozco M.  2007.  Exploring the dynamics of calix[4]pyrrole: effect of solvent and fluorine substitution. Chemistry (Weinheim an der Bergstrasse, Germany). 13(4):1108-1116. Abstract
Blas, JR, Luque FJ, Orozco M.  2004.  Unique tautomeric properties of isoguanine. Journal of the American Chemical Society. 126(1):154-164. Abstract
Bidon-Chanal, A, Marti MA, Crespo A, Milani M, Orozco M, Bolognesi M, Luque FJ, Estrin DA.  2006.  Ligand-induced dynamical regulation of NO conversion in Mycobacterium tuberculosis truncated hemoglobin-N. Proteins. 64(2):457-464. 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, 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, 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
A
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
Alonso, D, Dorronsoro I, Rubio L, Munoz P, Garcia-Palomero E, Monte DM, Bidon-Chanal A, Orozco M, Luque FJ, Castro A et al..  2005.  Donepezil-tacrine hybrid related derivatives as new dual binding site inhibitors of AChE. Bioorganic & medicinal chemistry. 13(24):6588-6597. Abstract
Alhambra, C, Luque FJ, Portugal J, Orozco M.  1995.  Molecular dynamics study of the binding of elsamicin A to DNA. European journal of biochemistry / FEBS. 230(2):555-566. Abstract
Aleman, C, Roca R, Luque FJ, Orozco M.  1997.  Helical preferences of alanine, glycine, and aminoisobutyric homopeptides. Proteins. 28(1):83-93. Abstract