Publicacións (33) Publicacións nas que participase algún/ha investigador/a

2007

  1. 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

  2. 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

  3. 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

  4. Bimetallic intermediates in the formation of nucleophilic allenylzincs from allenylpalladiums: A DFT study

    Organometallics, Vol. 26, Núm. 11, pp. 2799-2802

  5. Bispyridinium dienes: Histone deacetylase inhibitors with selective activities

    Journal of Medicinal Chemistry, Vol. 50, Núm. 10, pp. 2497-2505

  6. Conformational study and electron density analysis of 9-[tetrahydropyran-3-yl]purine derivatives

    Tetrahedron, Vol. 63, Núm. 3, pp. 717-726

  7. Conjugation of bioactive ligands to PEG-grafted chitosan at the distal end of PEG

    Biomacromolecules, Vol. 8, Núm. 3, pp. 833-842

  8. Cyclization cascade of allenyl azides: A dual mechanism

    Journal of the American Chemical Society, Vol. 129, Núm. 24, pp. 7638-7646

  9. Design of selective nuclear receptor modulators: RAR and RXR as a case study

    Nature Reviews Drug Discovery, Vol. 6, Núm. 10, pp. 811-820

  10. 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

  11. 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

  12. 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

  13. 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

  14. 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

  15. 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

  16. 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

  17. 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

  18. 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

  19. Probing the binding site of the A1 adenosine receptor reengineered for orthogonal recognition by tailored nucleosides

    Biochemistry, Vol. 46, Núm. 25, pp. 7437-7448

  20. 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