Publicaciones (96) Publicaciones en las que ha participado algún/a investigador/a

2006

  1. A theoretical analysis of rate constants and kinetic isotope effects corresponding to different reactant valleys in lactate dehydrogenase

    Journal of the American Chemical Society, Vol. 128, Núm. 51, pp. 16851-16863

  2. A topology-constrained distance network algorithm for protein structure determination from NOESY data

    Proteins: Structure, Function and Genetics, Vol. 62, Núm. 3, pp. 587-603

  3. Ab initio determination of the ionization potentials of DNA and RNA nucleobases

    Journal of Chemical Physics, Vol. 125, Núm. 8

  4. Activation free energy of catechol O-methyltransferase. Corrections to the potential of mean force

    Journal of Physical Chemistry A, Vol. 110, Núm. 2, pp. 503-509

  5. An observation of interest relative to the practice of spectroscopic measurements in multiple sclerosis [3]

    American Journal of Neuroradiology

  6. An overlooked property of plot methods

    Journal of Mathematical Chemistry, Vol. 39, Núm. 3-4, pp. 475-484

  7. Anodic growth of passive layers on steel rebars in an alkaline medium simulating the concrete pores

    Electrochimica Acta, Vol. 52, Núm. 1, pp. 47-53

  8. Application of a mathematical topological pattern of antihistaminic activity for the selection of new drug candidates and pharmacology assays

    Journal of Medicinal Chemistry, Vol. 49, Núm. 12, pp. 3667-3673

  9. Assigning wave functions to graphs: A way to introduce novel topological indices

    Match, Vol. 56, Núm. 3, pp. 509-518

  10. Atom-based 3D-chiral quadratic indices. Part 2: Prediction of the corticosteroid-binding globulin binding affinity of the 31 benchmark steroids data set

    Bioorganic and Medicinal Chemistry, Vol. 14, Núm. 7, pp. 2398-2408

  11. Bond-based global and local (bond, group and bond-type) quadratic indices and their applications to computer-aided molecular design. 1. QSPR studies of diverse sets of organic chemicals

    Journal of Computer-Aided Molecular Design, Vol. 20, Núm. 10-11, pp. 685-701

  12. Calculation of the rate constants of nickel electrodissolution in acid medium from EIS

    Journal of Solid State Electrochemistry, Vol. 10, Núm. 11, pp. 920-928

  13. Calculations of organic-solvent dispersions of single-wall carbon nanotubes

    International Journal of Quantum Chemistry

  14. Carbon nanorings: A challenge to theoretical chemistry

    ChemPhysChem, Vol. 7, Núm. 12, pp. 2503-2507

  15. Catalysis in glycine N-methyltransferase: Testing the electrostatic stabilization and compression hypothesis

    Biochemistry, Vol. 45, Núm. 50, pp. 14917-14925

  16. Changeover during in situ compositional modulation of hexacyanoferrate (Prussian blue) material

    Journal of the American Chemical Society, Vol. 128, Núm. 51, pp. 17146-17152

  17. Cluster origin of the solubility of single-wall carbon nanotubes

    Structure and Properties of Clusters: From a few Atoms to Nanoparticles (CRC Press), pp. 187-192

  18. Comparative computational analysis of different active site conformations and substrates in a chalcone isomerase catalyzed reaction

    Journal of Physical Chemistry B, Vol. 110, Núm. 41, pp. 20686-20692

  19. Comparative study between IR and UV laser radiation applied to the removal of graffitis on urban buildings

    Applied Surface Science, Vol. 252, Núm. 8, pp. 2782-2793

  20. Compatibility between polystyrene copolymers and polymers in solution via hydrogen bonding

    European Polymer Journal, Vol. 42, Núm. 10, pp. 2807-2823