Departamento
Química orgánica
Publicacións (33) Publicacións nas que participase algún/ha investigador/a
2007
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2D-autocorrelation descriptors for predicting cytotoxicity of naphthoquinone ester derivatives against oral human epidermoid carcinoma
Bioorganic and Medicinal Chemistry, Vol. 15, Núm. 10, pp. 3565-3571
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A density functional theory study of the stille cross-coupling via associative transmetalation. the role of ligands and coordinating solvents
Advanced Synthesis and Catalysis, Vol. 349, Núm. 6, pp. 887-906
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ANN-QSAR model for selection of anticancer leads from structurally heterogeneous series of compounds
European Journal of Medicinal Chemistry, Vol. 42, Núm. 5, pp. 580-585
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Bimetallic intermediates in the formation of nucleophilic allenylzincs from allenylpalladiums: A DFT study
Organometallics, Vol. 26, Núm. 11, pp. 2799-2802
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Bispyridinium dienes: Histone deacetylase inhibitors with selective activities
Journal of Medicinal Chemistry, Vol. 50, Núm. 10, pp. 2497-2505
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Conformational study and electron density analysis of 9-[tetrahydropyran-3-yl]purine derivatives
Tetrahedron, Vol. 63, Núm. 3, pp. 717-726
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Conjugation of bioactive ligands to PEG-grafted chitosan at the distal end of PEG
Biomacromolecules, Vol. 8, Núm. 3, pp. 833-842
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Cyclization cascade of allenyl azides: A dual mechanism
Journal of the American Chemical Society, Vol. 129, Núm. 24, pp. 7638-7646
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Design of selective nuclear receptor modulators: RAR and RXR as a case study
Nature Reviews Drug Discovery, Vol. 6, Núm. 10, pp. 811-820
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Deuterium exchange and mass spectrometry reveal the interaction differences of two synthetic modulators of RXRα LBD
Protein Science, Vol. 16, Núm. 11, pp. 2491-2501
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Efficient and rapid experimental procedure for the synthesis of furan diol from d-glucal using ionic liquid
Tetrahedron Letters, Vol. 48, Núm. 45, pp. 7926-7929
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Electrocyclic ring opening of cis-bicyclo[m.n.0]alkenes: The anti-woodward-hoffmann quest
Chemistry - A European Journal, Vol. 13, Núm. 17, pp. 5009-5017
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Feijoa sellowiana derived natural Flavone exerts anti-cancer action displaying HDAC inhibitory activities
International Journal of Biochemistry and Cell Biology, Vol. 39, Núm. 10, pp. 1902-1914
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Insight into the role of Mg2+ in hammerhead ribozyme catalysis from X-ray crystallography and molecular dynamics simulation
Journal of Chemical Theory and Computation, Vol. 3, Núm. 2, pp. 325-327
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Modulators of the structural dynamics of the retinoid X receptor to reveal receptor function
Proceedings of the National Academy of Sciences of the United States of America, Vol. 104, Núm. 44, pp. 17323-17328
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Molecular modeling of the human P2Y2 receptor and design of a selective agonist, 2′-amino-2′-deoxy-2-thiouridine 5′-triphosphate
Journal of Medicinal Chemistry, Vol. 50, Núm. 6, pp. 1166-1176
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Paramagnetic NMR relaxation in polymeric matrixes: Sensitivity enhancement and selective suppression of embedded species (1H and 13C PSR filter)
Journal of the American Chemical Society, Vol. 129, Núm. 49, pp. 15164-15173
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Physical properties of 1-butyl-3-methylimidazolium methyl sulfate as a function of temperature
Journal of Chemical and Engineering Data, Vol. 52, Núm. 2, pp. 377-380
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Probing the binding site of the A1 adenosine receptor reengineered for orthogonal recognition by tailored nucleosides
Biochemistry, Vol. 46, Núm. 25, pp. 7437-7448
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Pseudopericyclic design drives antara-antara [1,5] methylene sigmatropic shifts from a stepwise to a concerted mechanism
Journal of Computational Chemistry, Vol. 28, Núm. 8, pp. 1411-1416