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W
Pigni, NB
,
Rios-Ruiz S
,
Luque FJ
,
Viladomat F
,
Codina C
,
Bastida J
. 2013.
Wild daffodils of the section Ganymedes from the iberian peninsula as a source of mesembrane alkaloids
.
Phytochemistry. 95:385-393.
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V
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.
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U
Mirkovic, T
,
Doust AB
,
Kim J
,
Wilk KE
,
Curutchet C
,
Mennucci B
,
Cammi R
,
Curmi PMG
,
Scholes GD
. 2007.
Ultrafast light harvesting dynamics in the cryptophyte phycocyanin 645
.
Photochemical & Photobiological Sciences. 6(9):964-975.
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T
Curutchet, C
,
Voityuk AA
. 2011.
Triplet-Triplet Energy Transfer in DNA: A Process that Occurs on the Nanosecond Timescale
.
Angewandte Chemie-International Edition. 50(8):1820-1822.
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Curutchet, C
,
Salichs A
,
Barril X
,
Orozco M
,
Luque FJ
. 2003.
Transferability of fragmental contributions to the octanol/water partition coefficient: An NDDO-based MST study
.
Journal of Computational Chemistry. 24(1):32-45.
Abstract
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Farrera, JA
,
Canal I
,
Hidalgo-Fernandez P
,
Perez-Garcia ML
,
Huertas O
,
Luque FJ
. 2008.
Towards a tunable tautomeric switch in azobenzene biomimetics: implications for the binding affinity of 2-(4'-hydroxyphenylazo)benzoic acid to streptavidin
.
Chemistry (Weinheim an der Bergstrasse, Germany). 14(7):2277-2285.
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Russo, V
,
Curutchet C
,
Mennucci B
. 2007.
Towards a molecular scale interpretation of excitation energy transfer in solvated bichromophoric systems. II. The through-bond contribution
.
Journal of Physical Chemistry B. 111(4):853-863.
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Zgarbova, M
,
Luque FJ
,
Sponer J
,
Cheatham TE
,
Otyepka M
,
Jurecka P
. 2013.
Toward improved description of DNA backbone: Revisiting epsilon and zeta torsion force field parameters
.
Journal of Chemical Theory and Computation. 9:2339-2354.
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Caprasecca, S
,
Curutchet C
,
Mennucci B
. 2012.
Toward a Unified Modeling of Environment and Bridge-Mediated Contributions to Electronic Energy Transfer: A Fully Polarizable QM/MM/PCM Approach
.
Journal of Chemical Theory and Computation. 8(11):4462-4473.
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Curutchet, C
,
Mennucci B
. 2005.
Toward a molecular scale interpretation of excitation energy transfer in solvated bichromophoric systems
.
Journal of the American Chemical Society. 127(47):16733-16744.
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Perez, DI
,
Conde S
,
Perez C
,
Gil C
,
Simon D
,
Wandosell F
,
Moreno FJ
,
Gelpi JL
,
Luque FJ
,
Martinez A
. 2009.
Thienylhalomethylketones: Irreversible glycogen synthase kinase 3 inhibitors as useful pharmacological tools
.
Bioorganic & medicinal chemistry. 17(19):6914-6925.
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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.
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Cubero, E
,
Luque FJ
,
Orozco M
. 2006.
Theoretical study of the Hoogsteen-Watson-Crick junctions in DNA
.
Biophysical journal. 90(3):1000-1008.
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Ribas, J
,
Cubero E
,
Luque FJ
,
Orozco M
. 2002.
Theoretical study of alkyl-pi and aryl-pi interactions. Reconciling theory and experiment
.
The Journal of organic chemistry. 67(20):7057-7065.
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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.
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Cubero, E
,
Luque FJ
,
Orozco M
. 2001.
Theoretical studies of d(A:T)-based parallel-stranded DNA duplexes
.
Journal of the American Chemical Society. 123(48):12018-12025.
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Di Pietro, O
,
Perez-Areales J
,
Juarez-Jimenez J
,
Espargaro A
,
Clos MV
,
Perez B
,
Lavilla R
,
Sabate R
,
Luque FJ
,
Muñoz-Torrero D
. 2014.
Tetrahydrobenzo[h][1,6]naphthyridine-6-chlorotacrine hybrids as a new family of anti-Alzheimer agents targeting β-amyloid, tau, and cholinesterase pathologies
.
European Journal of Medicinal Chemistry. 84
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Camps, P
,
Formosa X
,
Galdeano C
,
Gomez T
,
Munoz-Torrero D
,
Ramirez L
,
Viayna E
,
Gomez E
,
Isambert N
,
Lavilla R
et al.
. 2010.
Tacrine-based dual binding site acetylcholinesterase inhibitors as potential disease-modifying anti-Alzheimer drug candidates
.
Chemico-biological interactions.
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S
Castano, T
,
Wang H
,
Campillo NE
,
Ballester S
,
Gonzalez-Garcia C
,
Hernandez J
,
Perez C
,
Cuenca J
,
Perez-Castillo A
,
Martinez A
et al.
. 2009.
Synthesis, structural analysis, and biological evaluation of thioxoquinazoline derivatives as phosphodiesterase 7 inhibitors
.
ChemMedChem. 4(5):866-876.
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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
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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.
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Rondeau-Gagne, S
,
Curutchet C
,
Grenier F
,
Scholes GD
,
Morin J-F
. 2010.
Synthesis, characterization and DFT calculations of new ethynyl-bridged C-60 derivatives
.
Tetrahedron. 66(23):4230-4242.
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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.
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Bolea, I
,
Juarez-Jimenez J
,
de los Rios C
,
Chioua M
,
Pouplana R
,
Luque FJ
,
Unzeta M
,
Marco-Contelles J
,
Samadi A
. 2011.
Synthesis, Biological Evaluation and Molecular Modeling of Donepezil and N-[(5-(Benzyloxy)-1-methyl-1H-indol-2-yl)methyl]-N-methylprop-2-yn-1-amine Hybrids, as New Multipotent Cholinesterase/Monoamine Oxidase Inhibitors for the Treatment of Alzheimer's Di
.
Journal of medicinal chemistry.
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Viayna, E
,
Sola I
,
Bartolini M
,
De Simone A
,
Tapia-Rojas C
,
Serrano FG
,
Sabate R
,
Juarez-Jimenez J
,
Perez B
,
Luque FJ
et al.
. 2014.
Synthesis and multitarget biological profiling of a novel family of rhein derivatives as disease-modifying anti-Alzheimer agents
.
Journal of Medicinal Chemistry. 57
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