Publicacións (74) Publicacións nas que participase algún/ha investigador/a

2007

  1. 2D-RNA-coupling numbers: A new computational chemistry approach to link secondary structure topology with biological function

    Journal of Computational Chemistry, Vol. 28, Núm. 6, pp. 1049-1056

  2. A model for the recognition of protein kinases based on the entropy of 3D van der waals interactions

    Journal of Proteome Research, Vol. 6, Núm. 2, pp. 904-908

  3. A novel approach to the synthesis of benzo[b]fluoren-11-ones

    Tetrahedron Letters, Vol. 48, Núm. 12, pp. 2147-2149

  4. A simple NMR analysis of the protonation equilibrium that accompanies aminoglycoside recognition. Dramatic alterations in neomycin-B protonation state upon binding to a 23-mer RNA aptamer

    Chemical Communications, Vol. 2, Núm. 2, pp. 174-176

  5. 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

  6. Acid-catalyzed cyclization of acyliminium ions derived from allenamides. A new entry to protoberberines

    Tetrahedron Letters, Vol. 48, Núm. 15, pp. 2741-2743

  7. Adsorption of phenol on formaldehyde-pretreated Pinus pinaster bark: Equilibrium and kinetics

    Bioresource Technology, Vol. 98, Núm. 8, pp. 1535-1540

  8. An evaluation of selected global (Q)SARs/expert systems for the prediction of skin sensitisation potential

    SAR and QSAR in Environmental Research, Vol. 18, Núm. 5-6, pp. 515-541

  9. Antitumor activity, X-ray crystal structure, and DNA binding properties of thiocoraline A, a natural bisintercalating thiodepsipeptide

    Journal of Medicinal Chemistry, Vol. 50, Núm. 14, pp. 3322-3333

  10. Aryne-mediated synthesis of heterocycles

    Heterocycles, Vol. 74, Núm. C, pp. 89-100

  11. Assignment of the 1H and 13C NMR signals of some hydroxyphenylcoumarins

    Magnetic Resonance in Chemistry, Vol. 45, Núm. 1, pp. 99-101

  12. Challenging the absence of observable hydrogens in the assignment of absolute configurations by NMR: Application to chiral primary alcohols

    Chemical Communications, pp. 1456-1458

  13. Chemometrics for QSAR with low sequence homology: Mycobacterial promoter sequences recognition with 2D-RNA entropies

    Chemometrics and Intelligent Laboratory Systems, Vol. 85, Núm. 1, pp. 20-26

  14. Chiral thiols: The assignment of their absolute configuration by 1H NMR

    Organic Letters, Vol. 9, Núm. 24, pp. 5015-5018

  15. Computational chemistry comparison of stable/nonstable protein mutants classification models based on 3d and topological indices

    Journal of Computational Chemistry, Vol. 28, Núm. 12, pp. 1990-1995

  16. Computational chemistry development of a unified free energy Markov Model for the distribution of 1300 chemicals to 38 different environmental or biological systems

    Journal of Computational Chemistry, Vol. 28, Núm. 11, pp. 1909-1923

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

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

  18. Controlling multiple fluorescent signal output in cyclic peptide-based supramolecular systems

    Journal of the American Chemical Society, Vol. 129, Núm. 6, pp. 1653-1657

  19. Crystal structure of the vitamin D nuclear receptor ligand binding domain in complex with a locked side chain analog of calcitriol

    Archives of Biochemistry and Biophysics, Vol. 460, Núm. 2, pp. 172-176

  20. Cyclocondensation of (±)-exo,exo-5,6-(isopropylidenedioxy)-3- (pyrrolidino-methylene)bicyclo[2.2.1]heptan-2-one with N-C-N dinucleophiles

    Synthesis, pp. 1385-1391