Publications by the researcher in collaboration with Humberto González Díaz (60)

2013

  1. Synthetic oxoisoaporphine alkaloids: in vitro, in vivo and in silico assessment of antileishmanial activities.

    PloS one, Vol. 8, Núm. 10

2011

  1. Using the TOPS-MODE approach to fit multi-target QSAR models for tyrosine kinases inhibitors

    European Journal of Medicinal Chemistry, Vol. 46, Núm. 6, pp. 2185-2192

2010

  1. A new computational chemistry and complex networks approach to structure-function and similarity relationships in protein enzymes

    Handbook of Computational Chemistry Research (Nova Science Publishers, Inc.), pp. 387-408

  2. Experimental-theoretic study of peptide fingerprints in Leishmania parasites

    Proteómica: revista de la Sociedad Española de Proteómica, Núm. 5, pp. 147-148

  3. Protein graphs in cancer prediction

    An Omics Perspective on Cancer Research (Springer Netherlands), pp. 125-140

2009

  1. 3D entropy and moments prediction of enzyme classes and experimental-theoretic study of peptide fingerprints in Leishmania parasites

    Biochimica et Biophysica Acta - Proteins and Proteomics, Vol. 1794, Núm. 12, pp. 1784-1794

  2. A network-QSAR model for prediction of genetic-component biomarkers in human colorectal cancer

    Journal of Theoretical Biology, Vol. 261, Núm. 3, pp. 449-458

  3. Alignment-free prediction of a drug-target complex network based on parameters of drug connectivity and protein sequence of receptors

    Molecular Pharmaceutics, Vol. 6, Núm. 3, pp. 825-835

  4. Alignment-free prediction of mycobacterial DNA promoters based on pseudo-folding lattice network or star-graph topological indices

    Journal of Theoretical Biology, Vol. 256, Núm. 3, pp. 458-466

  5. Alignment-free prediction of polygalacturonases with pseudofolding topological indices: Experimental isolation from coffea arabica and prediction of a new sequence

    Journal of Proteome Research, Vol. 8, Núm. 4, pp. 2122-2128

  6. Computational chemistry study of 3D-structure-function relationships for enzymes based on markov models for protein electrostatic, HINT, and van der waals potentials

    Journal of Computational Chemistry, Vol. 30, Núm. 9, pp. 1510-1520

  7. Multi-target QPDR classification model for human breast and colon cancer-related proteins using star graph topological indices

    Journal of Theoretical Biology, Vol. 257, Núm. 2, pp. 303-311

  8. Multi-target spectral moment: QSAR for antiviral drugs vs. different viral species

    Analytica Chimica Acta, Vol. 651, Núm. 2, pp. 159-164

  9. Multi-target spectral moments for QSAR and Complex Networks study of antibacterial drugs

    European Journal of Medicinal Chemistry, Vol. 44, Núm. 11, pp. 4516-4521

  10. Prediction of enzyme classes from 3D structure: A general model and examples of experimental-theoretic scoring of peptide mass fingerprints of Leishmania proteins

    Journal of Proteome Research, Vol. 8, Núm. 9, pp. 4372-4382

  11. QSAR and complex network study of the chiral HMGR inhibitor structural diversity

    Bioorganic and Medicinal Chemistry, Vol. 17, Núm. 1, pp. 165-175

  12. Scoring function for DNA-drug docking of anticancer and antiparasitic compounds based on spectral moments of 2D lattice graphs for molecular dynamics trajectories

    European Journal of Medicinal Chemistry, Vol. 44, Núm. 11, pp. 4461-4469

  13. Unified QSAR approach to antimicrobials. 4. Multi-target QSAR modeling and comparative multi-distance study of the giant components of antiviral drug-drug complex networks

    Bioorganic and Medicinal Chemistry, Vol. 17, Núm. 2, pp. 569-575

2008

  1. Multi-target QSPR assemble of a Complex Network for the distribution of chemicals to biphasic systems and biological tissues

    Chemometrics and Intelligent Laboratory Systems, Vol. 94, Núm. 2, pp. 160-165

  2. Proteomics, networks and connectivity indices

    Proteomics, Vol. 8, Núm. 4, pp. 750-778