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F. Javier Luque: [Publications] [Author Rank by year] [Co-authors] [Prefers] [Cites] [Cited by]

Publications of Author

  1. Antonio Morreale, Xavier de la Cruz, Tim Meyer, Josep Lluis Gelpí, F. Javier Luque, Modesto Orozco
    Hydration Free Energy in Macromolecules. [Citation Graph (0, 0)][DBLP]
    Spanish Bioinformatics Conference, 2004, pp:206-207 [Conf]
  2. Xavier Fradera, Xavier de la Cruz, Carlos H. T. P. Silva, Josep Lluis Gelpí, F. Javier Luque, Modesto Orozco
    Ligand-induced changes in the binding sites of proteins. [Citation Graph (0, 0)][DBLP]
    Bioinformatics, 2002, v:18, n:7, pp:939-948 [Journal]
  3. Modesto Orozco, F. Javier Luque
    POEMS: program for outliers elimination in multidimensional space. [Citation Graph (0, 0)][DBLP]
    Computer Applications in the Biosciences, 1988, v:4, n:3, pp:381-385 [Journal]
  4. Modesto Orozco, F. Javier Luque
    POEAMS: program for outliers elimination in 'anomalous' multidimensional space. [Citation Graph (0, 0)][DBLP]
    Computer Applications in the Biosciences, 1989, v:5, n:3, pp:241-242 [Journal]
  5. Carlos Alemán, F. Javier Luque, Modesto Orozco
    A new scaling procedure to correct semiempirical MEP and MEP-derived properties. [Citation Graph (0, 0)][DBLP]
    Journal of Computer-Aided Molecular Design, 1993, v:7, n:6, pp:721-742 [Journal]
  6. Begoña Hernández, F. Javier Luque, Modesto Orozco
    Mixed QM/MM molecular electrostatic potentials. [Citation Graph (0, 0)][DBLP]
    Journal of Computer-Aided Molecular Design, 2000, v:14, n:4, pp:329-339 [Journal]
  7. Begoña Hernández, Modesto Orozco, F. Javier Luque
    Tautomerism of xanthine and alloxanthine: A model for substrate recognition by xanthine oxidase. [Citation Graph (0, 0)][DBLP]
    Journal of Computer-Aided Molecular Design, 1996, v:10, n:6, pp:535-544 [Journal]
  8. Begoña Hernández, Modesto Orozco, F. Javier Luque
    Role of the tautomerism of 2-azaadenine and 2-azahypoxanthine in substrate recognition by xanthine oxidase. [Citation Graph (0, 0)][DBLP]
    Journal of Computer-Aided Molecular Design, 1997, v:11, n:2, pp:153-162 [Journal]
  9. F. Javier Luque, Xavier Barril, Modesto Orozco
    Fractional description of free energies of solvation. [Citation Graph (0, 0)][DBLP]
    Journal of Computer-Aided Molecular Design, 1999, v:13, n:2, pp:139-152 [Journal]
  10. Albert Salichs, M. López, V. Segarra, Modesto Orozco, F. Javier Luque
    Fast estimation of hydrogen-bonding donor and acceptor propensities: a GMIPp study. [Citation Graph (0, 0)][DBLP]
    Journal of Computer-Aided Molecular Design, 2002, v:16, n:8-9, pp:569-583 [Journal]
  11. Margarida Bachs, F. Javier Luque, Modesto Orozco
    Optimization of Solute Cavities and van der Waals Parameters in Ab Initio MST-SCRF Calculations of Neutral Molecules. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1994, v:15, n:4, pp:446-454 [Journal]
  12. Carles Colominas, F. Javier Luque, Modesto Orozco
    Monte Carlo-MST: New strategy for representation of solvent configurational space in solution. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1999, v:20, n:7, pp:665-678 [Journal]
  13. Carles Curutchet, Josep María Bofill, Begoña Hernández, Modesto Orozco, F. Javier Luque
    Energy decomposition in molecular complexes: Implications for the treatment of polarization in molecular simulations. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2003, v:24, n:10, pp:1263-1275 [Journal]
  14. Carles Curutchet, Christopher J. Cramer, Donald G. Truhlar, Manuel F. Ruiz-López, Daniel Rinaldi, Modesto Orozco, F. Javier Luque
    Electrostatic component of solvation: Comparison of SCRF continuum models. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2003, v:24, n:3, pp:284-297 [Journal]
  15. Carles Curutchet, Modesto Orozco, F. Javier Luque
    Solvation in octanol: parametrization of the continuum MST model. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2001, v:22, n:11, pp:1180-1193 [Journal]
  16. Begoña Hernández, F. Javier Luque, Modesto Orozco
    Parametrization of the GMIPp for the study of stacking interactions. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1999, v:20, n:9, pp:937-946 [Journal]
  17. F. Javier Luque, Margarida Bachs, Carlos Alemán, Modesto Orozco
    Extension of MST/SCRF method to organic solvents: Ab initio and semiempirical parametrization for neutral solutes in CCl4. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1996, v:17, n:7, pp:806-820 [Journal]
  18. F. Javier Luque, Margarida Bachs, Modesto Orozco
    An Optimized AM1/MST Method for the MST-SCRF Representation of Solvated Systems. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1994, v:15, n:8, pp:847-857 [Journal]
  19. F. Javier Luque, Modesto Orozco
    Polarization effects in generalized molecular interaction potential: New Hamiltonian for reactivity studies and mixed QM/MM calculations. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1998, v:19, n:8, pp:866-881 [Journal]
  20. Antonio Morreale, Josep Lluis Gelpí, F. Javier Luque, Modesto Orozco
    Continuum and discrete calculation of fractional contributions to solvation free energy. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2003, v:24, n:13, pp:1610-1623 [Journal]
  21. J. Muñoz, Xavier Barril, Begoña Hernández, Modesto Orozco, F. Javier Luque
    Hydrophobic similarity between molecules: A MST-based hydrophobic similarity index. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2002, v:23, n:5, pp:554-563 [Journal]
  22. Modesto Orozco, Margarida Bachs, F. Javier Luque
    Development of Optimized MST/SCRF Methods for Semiempirical Calculations: The MNDO and PM3 Hamilitonians. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1995, v:16, n:5, pp:563-575 [Journal]
  23. Robert Soliva, Modesto Orozco, F. Javier Luque
    Suitability of density functional methods for calculation of electrostatic properties. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 1997, v:18, n:8, pp:980-991 [Journal]
  24. Carles Curutchet, Modesto Orozco, F. Javier Luque, Benedetta Mennucci, Jacopo Tomasi
    Dispersion and repulsion contributions to the solvation free energy: Comparison of quantum mechanical and classical approaches in the polarizable continuum model. [Citation Graph (0, 0)][DBLP]
    Journal of Computational Chemistry, 2006, v:27, n:15, pp:1769-1780 [Journal]

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