IKERBASQUE Professor Humberto González-Díaz

All Stories

1. 
   MCDCalc: Markov Chain Molecular Descriptors Calculator for Medicinal Chemistry

   Article • Current Topics in Medicinal Chemistry, March 2020, Bentham Science Publishers

   IKERBASQUE Professor Humberto González-Díaz, Ramiro Corona Jiménez, Mikel Martinez

2. 
   New Experimental and Computational Tools for Drug Discovery - Part-VIII

   Article • Current Topics in Medicinal Chemistry, March 2020, Bentham Science Publishers

   IKERBASQUE Professor Humberto González-Díaz, Marcus Tullius Scotti

3. 
   New Experimental and Computational Tools for Drug Discovery. - Part-VII

   Article • Current Topics in Medicinal Chemistry, July 2019, Bentham Science Publishers

   IKERBASQUE Professor Humberto González-Díaz

4. 
   New Experimental and Computational Tools for Drug Discovery: Medicinal Chemistry, Molecular Docking, and Machine Learning - Part-VI

   Article • Current Topics in Medicinal Chemistry, January 2019, Bentham Science Publishers

   IKERBASQUE Professor Humberto González-Díaz

5. 
   New Experimental and Computational Tools for Drug Discovery: Medicinal Chemistry, Personalized Medicine, Ethical & Legal Issues – Part-V

   Article • Current Topics in Medicinal Chemistry, January 2019, Bentham Science Publishers

   IKERBASQUE Professor Humberto González-Díaz

6. 
   New Experimental and Computational Tools for Drug Discovery: From Chemistry to Biology. Metabolomics, Pharmacokinetics, and Medicinal Chemistry. Part - IV

   Article • Current Topics in Medicinal Chemistry, August 2018, Bentham Science Publishers

   Dr Raúl González-Domínguez, IKERBASQUE Professor Humberto González-Díaz

7. 
   Multi-Target Mining of Alzheimer Disease Proteome with Hansch’s QSBR-Perturbation Theory and Experimental-Theoretic Study of New Thiophene Isosters of Rasagiline

   Article • Current Drug Targets, February 2017, Bentham Science Publishers

   IKERBASQUE Professor Humberto González-Díaz

8. 
   Experimental-Theoretic Approach to Drug-Lymphocyte Interactome Networks with Flow Cytometry and Spectral Moments Perturbation Theory

   Article • Current Pharmaceutical Design, November 2016, Bentham Science Publishers

   IKERBASQUE Professor Humberto González-Díaz

9. 
   Brain-inspired cheminformatics of drug-target brain interactome, synthesis, and assay of TVP1022 derivatives

   Article • Neuropharmacology, April 2016, Elsevier

   IKERBASQUE Professor Humberto González-Díaz

10. 
    Chemometric approach to fatty acid metabolism-distribution networks and methane production in ruminal microbiome

    Article • Chemometrics and Intelligent Laboratory Systems, February 2016, Elsevier

    IKERBASQUE Professor Humberto González-Díaz

11. 
    Editorial: MOL2NET 2015, International Conference on Multidisciplinary Sciences.

    Article • December 2015, MDPI AG

    IKERBASQUE Professor Humberto González-Díaz

12. 
    Multiscale Mapping of AIDS in U.S. Countries vs Anti-HIV Drugs Activity with Complex Networks and Information Indices

    Article • Current Bioinformatics, November 2015, Bentham Science Publishers

    IKERBASQUE Professor Humberto González-Díaz

13. 
    MIANN Models of Networks of Biochemical Reactions, Ecosystems, and U.S. Supreme Court with Balaban-Markov Indices

    Article • Current Bioinformatics, November 2015, Bentham Science Publishers

    IKERBASQUE Professor Humberto González-Díaz

14. 
    MI-NODES Multiscale Models of Metabolic Reactions, Brain Connectome, Ecological, Epidemic, World Trade, and Legal-Social Networks

    Article • Current Bioinformatics, November 2015, Bentham Science Publishers

    IKERBASQUE Professor Humberto González-Díaz

15. 
    Editorial (Thematic Issue: Multiscale Models in Cheminformatics, Complex Bio-Molecular Systems, and Social Networks)

    Article • Current Bioinformatics, November 2015, Bentham Science Publishers

    IKERBASQUE Professor Humberto González-Díaz

16. 
    Self-Assembled Binary Nanoscale Systems: Multioutput Model with LFER-Covariance Perturbation Theory and an Experimental–Computational Study of NaGDC-DDAB Micelles

    Article • Langmuir, November 2015, American Chemical Society (ACS)

    IKERBASQUE Professor Humberto González-Díaz

17. 
    Bio-AIMS Collection of Chemoinformatics Web Tools based on Molecular Graph Information and Artificial Intelligence Models

    Article • Combinatorial Chemistry & High Throughput Screening, September 2015, Bentham Science Publishers

    Dr Cristian R Munteanu, IKERBASQUE Professor Humberto González-Díaz

18. 
    Mapping chemical structure-activity information of HAART-drug cocktails over complex networks of AIDS epidemiology and socioeconomic data of U.S. counties

    Article • Biosystems, June 2015, Elsevier

    IKERBASQUE Professor Humberto González-Díaz

19. 
    Multi-output model with Box–Jenkins operators of linear indices to predict multi-target inhibitors of ubiquitin–proteasome pathway

    Article • Molecular Diversity, March 2015, Springer Science + Business Media

    IKERBASQUE Professor Humberto González-Díaz, Dr Huong Le-Thi-Thu

20. 
    Experimental and computational studies of fatty acid distribution networks

    Article • Molecular BioSystems, January 2015, Royal Society of Chemistry

    Dr Cristian R Munteanu, IKERBASQUE Professor Humberto González-Díaz

21. 
    Mitoprotective activity of oxidized carbon nanotubes against mitochondrial swelling induced in multiple experimental conditions and predictions with new expected-value perturbation theory

    Article • RSC Advances, January 2015, Royal Society of Chemistry

    IKERBASQUE Professor Humberto González-Díaz

22. 
    Computational Tool for Risk Assessment of Nanomaterials: Novel QSTR-Perturbation Model for Simultaneous Prediction of Ecotoxicity and Cytotoxicity of Uncoated and Coated Nanoparticles under Multiple Experimental Conditions

    Article • Environmental Science & Technology, December 2014, American Chemical Society (ACS)

    Professor Juan M. Ruso, IKERBASQUE Professor Humberto González-Díaz, M. Natalia D. S. Cordeiro

23. 
    Computational ecotoxicology: Simultaneous prediction of ecotoxic effects of nanoparticles under different experimental conditions

    Article • Environment International, December 2014, Elsevier

    Professor Juan M. Ruso, IKERBASQUE Professor Humberto González-Díaz, M. Natalia D. S. Cordeiro

24. 
    Galvez-Markov Network Transferability Indices: Review of Classic Theory and New Model for Perturbations in Metabolic Reactions

    Article • Current Drug Metabolism, November 2014, Bentham Science Publishers

    IKERBASQUE Professor Humberto González-Díaz

25. 
    Editorial (Thematic Issue: Chemoinformatics in Metabolomics, From Molecular Mechanics, Dynamics, and Docking to Complex Metabolic Networks, Part 2)

    Article • Current Drug Metabolism, November 2014, Bentham Science Publishers

    IKERBASQUE Professor Humberto González-Díaz

26. 
    Mapping networks of anti-HIV drug cocktails vs. AIDS epidemiology in the US counties

    Article • Chemometrics and Intelligent Laboratory Systems, November 2014, Elsevier

    IKERBASQUE Professor Humberto González-Díaz

27. 
    Prediction of Neurological Enzyme Targets for Known and New Compounds with a Model using Galvez's Topological Indices

    Article • October 2014, MDPI AG

    IKERBASQUE Professor Humberto González-Díaz

28. 
    Matrix Trace Operators: From Spectral Moments of Molecular Graphs and Complex Networks to Perturbations in Synthetic Reactions, Micelle Nanoparticles, and Drug ADME Processes

    Article • Current Drug Metabolism, October 2014, Bentham Science Publishers

    Professor Juan M. Ruso, IKERBASQUE Professor Humberto González-Díaz

29. 
    QSPR and Flow Cytometry Analysis (QSPR-FCA): Review and New Findings on Parallel Study of Multiple Interactions of Chemical Compounds with Immune Cellular and Molecular Targets

    Article • Current Drug Metabolism, October 2014, Bentham Science Publishers

    IKERBASQUE Professor Humberto González-Díaz

30. 
    Editorial (Thematic Issue: Chemoinformatics in Metabolomics, Modeling Chemical Reactivity and ADMET Processes Part 1)

    Article • Current Drug Metabolism, October 2014, Bentham Science Publishers

    IKERBASQUE Professor Humberto González-Díaz

31. 
    Prediction of Multi-Target Networks of Neuroprotective Compounds with Entropy Indices and Synthesis, Assay, and Theoretical Study of New Asymmetric 1,2-Rasagiline Carbamates

    Article • International Journal of Molecular Sciences, September 2014, MDPI AG

    IKERBASQUE Professor Humberto González-Díaz

32. 
    Computer-aided nanotoxicology: assessing cytotoxicity of nanoparticles under diverse experimental conditions by using a novel QSTR-perturbation approach

    Article • Nanoscale, June 2014, Royal Society of Chemistry

    Mr Alejandro Speck-Planche, Professor Juan M. Ruso, IKERBASQUE Professor Humberto González-Díaz, M. Natalia D. S. Cordeiro

33. 
    Markov mean properties for cell death-related protein classification

    Article • Journal of Theoretical Biology, May 2014, Elsevier

    IKERBASQUE Professor Humberto González-Díaz

34. 
    Editorial (Thematic Issue: From Phytochemistry to Medicinal Chemistry: Isolation, Semisynthesis, Evaluation and Computational Studies)

    Article • Current Topics in Medicinal Chemistry, April 2014, Bentham Science Publishers

    Mr Rajeev K Singla, IKERBASQUE Professor Humberto González-Díaz

35. 
    Editorial (Thematic Issue: Nanocarriers & Drug Delivery: Rational Design and Applications)

    Article • Current Topics in Medicinal Chemistry, March 2014, Bentham Science Publishers

    IKERBASQUE Professor Humberto González-Díaz

36. 
    ANN Multiscale Model of Anti-HIV Drugs Activity vs AIDS Prevalence in the US at County Level Based on Information Indices of Molecular Graphs and Social Networks

    Article • Journal of Chemical Information and Computer Sciences, March 2014, American Chemical Society (ACS)

    IKERBASQUE Professor Humberto González-Díaz

37. 
    LECTINPred: web Server that Uses Complex Networks of Protein Structure for Prediction of Lectins with Potential Use as Cancer Biomarkers or in Parasite Vaccine Design

    Article • Molecular Informatics, March 2014, Wiley

    IKERBASQUE Professor Humberto González-Díaz

38. 
    A QSPR-like model for multilocus genotype networks of Fasciola hepatica in Northwest Spain

    Article • Journal of Theoretical Biology, February 2014, Elsevier

    IKERBASQUE Professor Humberto González-Díaz

39. 
    Modeling Complex Metabolic Reactions, Ecological Systems, and Financial and Legal Networks with MIANN Models Based on Markov-Wiener Node Descriptors

    Article • Journal of Chemical Information and Computer Sciences, January 2014, American Chemical Society (ACS)

    IKERBASQUE Professor Humberto González-Díaz

40. 
    Model for high-throughput screening of drug immunotoxicity – Study of the anti-microbial G1 over peritoneal macrophages using flow cytometry

    Article • European Journal of Medicinal Chemistry, January 2014, Elsevier

    IKERBASQUE Professor Humberto González-Díaz

41. 
    Model for Vaccine Design by Prediction of B-Epitopes of IEDB Given Perturbations in Peptide Sequence, In Vivo Process, Experimental Techniques, and Source or Host Organisms

    Article • Journal of Immunology Research, January 2014, Hindawi Publishing Corporation

    IKERBASQUE Professor Humberto González-Díaz

42. 
    Using Bob-Jenkins Operators and Spectral Moments to Predict In-Out Perturbations in the Synthetic Pathways involving Assymetric Catalysis of Intra-molecular Carbolithiations

    Article • November 2013, MDPI AG

    IKERBASQUE Professor Humberto González-Díaz

43. 
    Computational model for multiplex assay of drug immunotoxicity in macrophage - study of the anti-microbial G1 using flow cytometry

    Article • October 2013, MDPI AG

    IKERBASQUE Professor Humberto González-Díaz

44. 
    Model for High-Throughput Screening of Multitarget Drugs in Chemical Neurosciences: Synthesis, Assay, and Theoretic Study of Rasagiline Carbamates

    Article • ACS Chemical Neuroscience, October 2013, American Chemical Society (ACS)

    IKERBASQUE Professor Humberto González-Díaz, M. Natalia D. S. Cordeiro

45. 
    General Theory for Multiple Input-Output Perturbations in Complex Molecular Systems. 1. Linear QSPR Electronegativity Models in Physical, Organic, and Medicinal Chemistry

    Article • Current Topics in Medicinal Chemistry, August 2013, Bentham Science Publishers

    Professor Juan M. Ruso, IKERBASQUE Professor Humberto González-Díaz

46. 
    Editorial (Hot Topic: Bioinformatics and Quantitative Structure-Property Relationship (QSPR) Models)

    Article • Current Bioinformatics, August 2013, Bentham Science Publishers

    IKERBASQUE Professor Humberto González-Díaz

47. 
    Markov-Randic Indices for QSPR Re-Evaluation of Metabolic, Parasite- Host, Fasciolosis Spreading, Brain Cortex and Legal-Social Complex Networks

    Article • Current Bioinformatics, August 2013, Bentham Science Publishers

    IKERBASQUE Professor Humberto González-Díaz

48. 
    S2SNet: A Tool for Transforming Characters and Numeric Sequences into Star Network Topological Indices in Chemoinformatics, Bioinformatics, Biomedical, and Social-Legal Sciences

    Article • Current Bioinformatics, August 2013, Bentham Science Publishers

    IKERBASQUE Professor Humberto González-Díaz

49. 
    Editorial (Hot Topic : Computational Prediction of Drug-Target Interactions in Medicinal Chemistry)

    Article • Current Topics in Medicinal Chemistry, August 2013, Bentham Science Publishers

    IKERBASQUE Professor Humberto González-Díaz

50. 
    Entropy Model for Multiplex Drug-Target Interaction Endpoints of Drug Immunotoxicity

    Article • Current Topics in Medicinal Chemistry, August 2013, Bentham Science Publishers

    IKERBASQUE Professor Humberto González-Díaz

51. 
    MIANN Models in Medicinal, Physical and Organic Chemistry

    Article • Current Topics in Medicinal Chemistry, April 2013, Bentham Science Publishers

    Professor Juan M. Ruso, IKERBASQUE Professor Humberto González-Díaz

52. 
    TOPS-MODE model of multiplexing neuroprotective effects of drugs and experimental-theoretic study of new 1,3-rasagiline derivatives potentially useful in neurodegenerative diseases

    Article • Bioorganic & Medicinal Chemistry, April 2013, Elsevier

    IKERBASQUE Professor Humberto González-Díaz, M. Natalia D. S. Cordeiro

53. 
    The Rücker–Markov invariants of complex Bio-Systems: Applications in Parasitology and Neuroinformatics

    Article • Biosystems, March 2013, Elsevier

    IKERBASQUE Professor Humberto González-Díaz

54. 
    New Markov-Autocorrelation Indices for Re-evaluation of Links in Chemical and Biological Complex Networks used in Metabolomics, Parasitology, Neurosciences, and Epidemiology

    Article • Journal of Chemical Information and Computer Sciences, December 2012, American Chemical Society (ACS)

    IKERBASQUE Professor Humberto González-Díaz

55. 
    ANN multiplexing model of drugs effect on macrophages; theoretical and flow cytometry study on the cytotoxicity of the anti-microbial drug G1 in spleen

    Article • Bioorganic & Medicinal Chemistry, October 2012, Elsevier

    IKERBASQUE Professor Humberto González-Díaz

56. 
    3D MI-DRAGON: New Model for the Reconstruction of US FDA Drug- Target Network and Theoretical-Experimental Studies of Inhibitors of Rasagiline Derivatives for AChE

    Article • Current Topics in Medicinal Chemistry, August 2012, Bentham Science Publishers

    IKERBASQUE Professor Humberto González-Díaz

57. 
    Immunotoxicity, Flow Cytometry, and Chemoinformatics: Review, Bibliometric Analysis, and New QSAR Model of Drug Effects Over Macrophages

    Article • Current Topics in Medicinal Chemistry, August 2012, Bentham Science Publishers

    IKERBASQUE Professor Humberto González-Díaz

58. 
    From QSAR models of Drugs to Complex Networks: State-of-Art Review and Introduction of New Markov-Spectral Moments Indices

    Article • Current Topics in Medicinal Chemistry, March 2012, Bentham Science Publishers

    IKERBASQUE Professor Humberto González-Díaz

59. 
    Generalized String Pseudo-Folding Lattices in Bioinformatics: State-of-Art Review, New Model for Enzyme Sub-Classes, and Study of ESTs on Trichinella spiralis

    Article • Current Bioinformatics, March 2012, Bentham Science Publishers

    IKERBASQUE Professor Humberto González-Díaz

60. 
    Editorial [Hot Topic: QSAR/QSPR Models as Enabling Technologies for Drug & Targets Discovery in: Medicinal Chemistry, Microbiology-Parasitology, Neurosciences, Bioinformatics, Proteomics and Other Biomedical Sciences (Guest Editor: Humberto Gonzalez Di...

    Article • Current Topics in Medicinal Chemistry, March 2012, Bentham Science Publishers

    IKERBASQUE Professor Humberto González-Díaz

61. 
    LIBP-Pred: web server for lipid binding proteins using structural network parameters; PDB mining of human cancer biomarkers and drug targets in parasites and bacteria

    Article • Molecular BioSystems, January 2012, Royal Society of Chemistry

    IKERBASQUE Professor Humberto González-Díaz

62. 
    Naïve Bayes QSDR classification based on spiral-graph Shannon entropies for protein biomarkers in human colon cancer

    Article • Molecular BioSystems, January 2012, Royal Society of Chemistry

    IKERBASQUE Professor Humberto González-Díaz

63. 
    New Markov–Shannon Entropy models to assess connectivity quality in complex networks: From molecular to cellular pathway, Parasite–Host, Neural, Industry, and Legal–Social networks

    Article • Journal of Theoretical Biology, January 2012, Elsevier

    IKERBASQUE Professor Humberto González-Díaz

64. 
    Review of Computer-Aided Models for Predicting Collagen Stability

    Article • Current Computer - Aided Drug Design, December 2011, Bentham Science Publishers

    IKERBASQUE Professor Humberto González-Díaz

65. 
    Editorial {Hot topic: QSPR Models for Computer-Aided Drug Design in Microbiology, Parasitology, and Pharmacology (Guest Editor: Humberto Gonzalez-Diaz)]

    Article • Current Computer - Aided Drug Design, December 2011, Bentham Science Publishers

    IKERBASQUE Professor Humberto González-Díaz

66. 
    From Chemical Graphs in Computer-Aided Drug Design to General Markov-Galvez Indices of Drug-Target, Proteome, Drug-Parasitic Disease, Technological, and Social-Legal Networks

    Article • Current Computer - Aided Drug Design, December 2011, Bentham Science Publishers

    IKERBASQUE Professor Humberto González-Díaz

67. 
    2D MI-DRAGON: A new predictor for protein–ligands interactions and theoretic-experimental studies of US FDA drug-target network, oxoisoaporphine inhibitors for MAO-A and human parasite proteins

    Article • European Journal of Medicinal Chemistry, December 2011, Elsevier

    IKERBASQUE Professor Humberto González-Díaz

68. 
    Entropy multi-target QSAR model for prediction of antiviral drug complex networks

    Article • Chemometrics and Intelligent Laboratory Systems, July 2011, Elsevier

    IKERBASQUE Professor Humberto González-Díaz

69. 
    Using the TOPS-MODE approach to fit multi-target QSAR models for tyrosine kinases inhibitors

    Article • European Journal of Medicinal Chemistry, June 2011, Elsevier

    IKERBASQUE Professor Humberto González-Díaz

70. 
    NL MIND-BEST: A web server for ligands and proteins discovery—Theoretic-experimental study of proteins of Giardia lamblia and new compounds active against Plasmodium falciparum

    Article • Journal of Theoretical Biology, May 2011, Elsevier

    IKERBASQUE Professor Humberto González-Díaz, Dr Mohamed Haddad

71. 
    Using entropy of drug and protein graphs to predict FDA drug-target network: Theoretic-experimental study of MAO inhibitors and hemoglobin peptides from Fasciola hepatica

    Article • European Journal of Medicinal Chemistry, April 2011, Elsevier

    IKERBASQUE Professor Humberto González-Díaz

72. 
    Editorial[Hot Topic:Applications of Topological Indices and Complex Networks in Bioinformatics(Guest Editor: Humberto Gonzalez-Diaz)]

    Article • Current Bioinformatics, March 2011, Bentham Science Publishers

    IKERBASQUE Professor Humberto González-Díaz

73. 
    Network Topological Indices from Chem-Bioinformatics to Legal Sciences and back

    Article • Current Bioinformatics, March 2011, Bentham Science Publishers

    IKERBASQUE Professor Humberto González-Díaz, Dr Grace Patlewicz

74. 
    Definition of Markov-Harary Invariants and Review of Classic Topological Indices and Databases in Biology, Parasitology, Technology,and Social-Legal Networks

    Article • Current Bioinformatics, March 2011, Bentham Science Publishers

    IKERBASQUE Professor Humberto González-Díaz

75. 
    MISS-Prot: web server for self/non-self discrimination of protein residue networks in parasites; theory and experiments in Fasciola peptides and Anisakis allergens

    Article • Molecular BioSystems, January 2011, Royal Society of Chemistry

    IKERBASQUE Professor Humberto González-Díaz

76. 
    First computational chemistry multi-target model for anti-Alzheimer, anti-parasitic, anti-fungi, and anti-bacterial activity of GSK-3 inhibitors in vitro, in vivo, and in different cellular lines

    Article • Molecular Diversity, October 2010, Springer Science + Business Media

    IKERBASQUE Professor Humberto González-Díaz

77. 
    Review of QSAR Models for Enzyme Classes of Drug Targets: Theoretical Background and Applications in Parasites, Hosts and Other Organisms

    Article • Current Pharmaceutical Design, August 2010, Bentham Science Publishers

    IKERBASQUE Professor Humberto González-Díaz

78. 
    Predicting Drugs and Proteins in Parasite Infections with Topological Indices of Complex Networks: Theoretical Backgrounds, Applications and Legal Issues

    Article • Current Pharmaceutical Design, August 2010, Bentham Science Publishers

    Dr Grace Patlewicz, IKERBASQUE Professor Humberto González-Díaz

79. 
    Editorial [Hot topic: QSAR and Complex Networks in Pharmaceutical Design, Microbiology, Parasitology, Toxicology, Cancer and Neurosciences (Executive Editor: Humberto Gonzalez-Diaz)]

    Article • Current Pharmaceutical Design, August 2010, Bentham Science Publishers

    IKERBASQUE Professor Humberto González-Díaz

80. 
    Editorial [Hot topic: Network Topological Indices, Drug Metabolism, and Distribution (Guest Editor: H. Gonzalez-Diaz)]

    Article • Current Drug Metabolism, May 2010, Bentham Science Publishers

    IKERBASQUE Professor Humberto González-Díaz

81. 
    Review of MARCH-INSIDE & Complex Networks Prediction of Drugs: ADMET, Anti-parasite Activity, Metabolizing Enzymes and Cardiotoxicity Proteome Biomarkers

    Article • Current Drug Metabolism, May 2010, Bentham Science Publishers

    IKERBASQUE Professor Humberto González-Díaz

82. 
    Multi-target spectral moment QSAR versus ANN for antiparasitic drugs against different parasite species

    Article • Bioorganic & Medicinal Chemistry, March 2010, Elsevier

    IKERBASQUE Professor Humberto González-Díaz

83. 
    Unified QSAR & network-based computational chemistry approach to antimicrobials. II. Multiple distance and triadic census analysis of antiparasitic drugs complex networks

    Article • Journal of Computational Chemistry, January 2010, Wiley

    Professor Fernanda Borges, IKERBASQUE Professor Humberto González-Díaz

84. 
    Plasmod-PPI: A web-server predicting complex biopolymer targets in plasmodium with entropy measures of protein–protein interactions

    Article • Polymer, January 2010, Elsevier

    IKERBASQUE Professor Humberto González-Díaz

85. 
    Editorial

    Article • Current Proteomics, December 2009, Bentham Science Publishers

    IKERBASQUE Professor Humberto González-Díaz

86. 
    QSAR Models for Proteins of Parasitic Organisms, Plants and Human Guests: Theory, Applications, Legal Protection, Taxes, and Regulatory Issues

    Article • Current Proteomics, December 2009, Bentham Science Publishers

    IKERBASQUE Professor Humberto González-Díaz

87. 
    Study of Parasitic Infections, Cancer, and other Diseases with Mass-Spectrometry and Quantitative Proteome-Disease Relationships

    Article • Current Proteomics, December 2009, Bentham Science Publishers

    IKERBASQUE Professor Humberto González-Díaz

88. 
    A network-QSAR model for prediction of genetic-component biomarkers in human colorectal cancer

    Article • Journal of Theoretical Biology, December 2009, Elsevier

    IKERBASQUE Professor Humberto González-Díaz

89. 
    Protein Graphs in Cancer Prediction

    Article • November 2009, Springer Science + Business Media

    IKERBASQUE Professor Humberto González-Díaz

90. 
    Multi-target spectral moments for QSAR and Complex Networks study of antibacterial drugs

    Article • European Journal of Medicinal Chemistry, November 2009, Elsevier

    Professor Fernanda Borges, IKERBASQUE Professor Humberto González-Díaz

91. 
    Scoring function for DNA–drug docking of anticancer and antiparasitic compounds based on spectral moments of 2D lattice graphs for molecular dynamics trajectories

    Article • European Journal of Medicinal Chemistry, November 2009, Elsevier

    IKERBASQUE Professor Humberto González-Díaz

92. 
    Multi-target spectral moment: QSAR for antiviral drugs vs. different viral species

    Article • Analytica Chimica Acta, October 2009, Elsevier

    Professor Fernanda Borges, IKERBASQUE Professor Humberto González-Díaz

93. 
    Multi-target spectral moment: QSAR for antifungal drugs vs. different fungi species

    Article • European Journal of Medicinal Chemistry, October 2009, Elsevier

    Professor Fernanda Borges, IKERBASQUE Professor Humberto González-Díaz

94. 
    Computational chemistry study of 3D-structure-function relationships for enzymes based on Markov models for protein electrostatic, HINT, and van der Waals potentials

    Article • Journal of Computational Chemistry, July 2009, Wiley

    IKERBASQUE Professor Humberto González-Díaz

95. 
    QSAR for RNases and theoretic–experimental study of molecular diversity on peptide mass fingerprints of a new Leishmania infantum protein

    Article • Molecular Diversity, July 2009, Springer Science + Business Media

    IKERBASQUE Professor Humberto González-Díaz

96. 
    Study of peptide fingerprints of parasite proteins and drug–DNA interactions with Markov-Mean-Energy invariants of biopolymer molecular-dynamic lattice networks

    Article • Polymer, July 2009, Elsevier

    IKERBASQUE Professor Humberto González-Díaz

97. 
    Multi-target QPDR classification model for human breast and colon cancer-related proteins using star graph topological indices

    Article • Journal of Theoretical Biology, March 2009, Elsevier

    IKERBASQUE Professor Humberto González-Díaz

98. 
    Alignment-free prediction of mycobacterial DNA promoters based on pseudo-folding lattice network or star-graph topological indices

    Article • Journal of Theoretical Biology, February 2009, Elsevier

    IKERBASQUE Professor Humberto González-Díaz

99. 
    QSAR and complex network study of the chiral HMGR inhibitor structural diversity

    Article • Bioorganic & Medicinal Chemistry, January 2009, Elsevier

    IKERBASQUE Professor Humberto González-Díaz

100. 
     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

     Article • Bioorganic & Medicinal Chemistry, January 2009, Elsevier

     IKERBASQUE Professor Humberto González-Díaz

101. 
     Editorial [Hot Topic: Quantitative studies on Structure-Activity and Structure-Property Relationships (QSAR/QSPR) (Guest Editor: Humberto Gonzalez-Diaz)]

     Article • Current Topics in Medicinal Chemistry, December 2008, Bentham Science Publishers

     IKERBASQUE Professor Humberto González-Díaz

102. 
     Predicting Antimicrobial Drugs and Targets with the MARCH-INSIDE Approach

     Article • Current Topics in Medicinal Chemistry, December 2008, Bentham Science Publishers

     IKERBASQUE Professor Humberto González-Díaz

103. 
     Multi-target QSPR assemble of a Complex Network for the distribution of chemicals to biphasic systems and biological tissues

     Article • Chemometrics and Intelligent Laboratory Systems, December 2008, Elsevier

     IKERBASQUE Professor Humberto González-Díaz, Dr Miguel Ángel Cabrera-Pérez

104. 
     QSAR model for alignment-free prediction of human breast cancer biomarkers based on electrostatic potentials of protein pseudofolding HP-lattice networks

     Article • Journal of Computational Chemistry, December 2008, Wiley

     IKERBASQUE Professor Humberto González-Díaz

105. 
     Quantitative Proteome–Property Relationships (QPPRs). Part 1: Finding biomarkers of organic drugs with mean Markov connectivity indices of spiral networks of blood mass spectra

     Article • Bioorganic & Medicinal Chemistry, November 2008, Elsevier

     Professor Fernanda Borges, IKERBASQUE Professor Humberto González-Díaz, M. Natalia D. S. Cordeiro

106. 
     Stochastic molecular descriptors for polymers. 4. Study of complex mixtures with topological indices of mass spectra spiral and star networks: The blood proteome case

     Article • Polymer, November 2008, Elsevier

     IKERBASQUE Professor Humberto González-Díaz, Professor Fernanda Borges, M. Natalia D. S. Cordeiro

107. 
     Natural/random protein classification models based on star network topological indices

     Article • Journal of Theoretical Biology, October 2008, Elsevier

     Professor Fernanda Borges, IKERBASQUE Professor Humberto González-Díaz

108. 
     Enzymes/non-enzymes classification model complexity based on composition, sequence, 3D and topological indices

     Article • Journal of Theoretical Biology, September 2008, Elsevier

     IKERBASQUE Professor Humberto González-Díaz

109. 
     HP-Lattice QSAR for dynein proteins: Experimental proteomics (2D-electrophoresis, mass spectrometry) and theoretic study of a Leishmania infantum sequence

     Article • Bioorganic & Medicinal Chemistry, August 2008, Elsevier

     IKERBASQUE Professor Humberto González-Díaz

110. 
     Using spectral moments of spiral networks based on PSA/mass spectra outcomes to derive quantitative proteome–disease relationships (QPDRs) and predicting prostate cancer

     Article • Biochemical and Biophysical Research Communications, July 2008, Elsevier

     IKERBASQUE Professor Humberto González-Díaz

111. 
     Unified QSAR approach to antimicrobials. Part 3: First multi-tasking QSAR model for Input-Coded prediction, structural back-projection, and complex networks clustering of antiprotozoal compounds

     Article • Bioorganic & Medicinal Chemistry, June 2008, Elsevier

     IKERBASQUE Professor Humberto González-Díaz

112. 
     3D-MEDNEs: An Alternative “in Silico” Technique for Chemical Research in Toxicology. 2. Quantitative Proteome−Toxicity Relationships (QPTR) based on Mass Spectrum Spiral Entropy

     Article • Chemical Research in Toxicology, March 2008, American Chemical Society (ACS)

     Professor Fernanda Borges, IKERBASQUE Professor Humberto González-Díaz, M. Natalia D. S. Cordeiro

113. 
     Proteomics, networks and connectivity indices

     Article • PROTEOMICS, February 2008, Wiley

     IKERBASQUE Professor Humberto González-Díaz

114. 
     MMM-QSAR Recognition of Ribonucleases without Alignment:  Comparison with an HMM Model and Isolation fromSchizosaccharomyces pombe, Prediction, and Experimental Assay of a New Sequence

     Article • Journal of Chemical Information and Computer Sciences, February 2008, American Chemical Society (ACS)

     IKERBASQUE Professor Humberto González-Díaz

115. 
     Unified QSAR and network-based computational chemistry approach to antimicrobials, part 1: Multispecies activity models for antifungals

     Article • Journal of Computational Chemistry, November 2007, Wiley

     IKERBASQUE Professor Humberto González-Díaz

116. 
     Computational chemistry development of a unified free energy Markov model for the distribution of 1300 chemicals to 38 different environmental or biological systems

     Article • Journal of Computational Chemistry, August 2007, Wiley

     Professor Fernanda Borges, IKERBASQUE Professor Humberto González-Díaz

117. 
     Medicinal Chemistry and Bioinformatics - Current Trends in Drugs Discovery with Networks Topological Indices

     Article • Current Topics in Medicinal Chemistry, May 2007, Bentham Science Publishers

     IKERBASQUE Professor Humberto González-Díaz

118. 
     ANN-QSAR model for selection of anticancer leads from structurally heterogeneous series of compounds

     Article • European Journal of Medicinal Chemistry, May 2007, Elsevier

     IKERBASQUE Professor Humberto González-Díaz

119. 
     Computational chemistry approach to protein kinase recognition using 3D stochastic van der Waals spectral moments

     Article • Journal of Computational Chemistry, April 2007, Wiley

     IKERBASQUE Professor Humberto González-Díaz

120. 
     On the applicability of QSAR for recognition of miRNA bioorganic structures at early stages of organism and cell development: Embryo and stem cells

     Article • Bioorganic & Medicinal Chemistry, April 2007, Elsevier

     IKERBASQUE Professor Humberto González-Díaz

121. 
     A Model for the Recognition of Protein Kinases Based on the Entropy of 3D van der Waals Interactions

     Article • Journal of Proteome Research, February 2007, American Chemical Society (ACS)

     IKERBASQUE Professor Humberto González-Díaz

122. 
     Computational chemistry comparison of stable/nonstable protein mutants classification models based on 3D and topological indices

     Article • Journal of Computational Chemistry, January 2007, Wiley

     IKERBASQUE Professor Humberto González-Díaz

123. 
     Chemometrics for QSAR with low sequence homology: Mycobacterial promoter sequences recognition with 2D-RNA entropies

     Article • Chemometrics and Intelligent Laboratory Systems, January 2007, Elsevier

     IKERBASQUE Professor Humberto González-Díaz

124. 
     QSAR study of anticoccidial activity for diverse chemical compounds: Prediction and experimental assay of trans-2-(2-nitrovinyl)furan

     Article • Bioorganic & Medicinal Chemistry, January 2007, Elsevier

     IKERBASQUE Professor Humberto González-Díaz

125. 
     2D-RNA-coupling numbers: A new computational chemistry approach to link secondary structure topology with biological function

     Article • Journal of Computational Chemistry, January 2007, Wiley

     IKERBASQUE Professor Humberto González-Díaz

126. 
     Unified QSAR approach to antimicrobials. Part 2: Predicting activity against more than 90 different species in order to halt antibacterial resistance

     Article • Bioorganic & Medicinal Chemistry, January 2007, Elsevier

     IKERBASQUE Professor Humberto González-Díaz

127. 
     Unify QSAR approach to antimicrobials. Part 1: Predicting antifungal activity against different species

     Article • Bioorganic & Medicinal Chemistry, September 2006, Elsevier

     IKERBASQUE Professor Humberto González-Díaz

128. 
     Simple stochastic fingerprints towards mathematical modeling in biology and medicine. 3. ocular irritability classification model

     Article • Bulletin of Mathematical Biology, July 2006, Springer Science + Business Media

     Professor Fernanda Borges, IKERBASQUE Professor Humberto González-Díaz

129. 
     Simple Stochastic Fingerprints Towards Mathematical Modeling in Biology and Medicine 2. Unifying Markov Model for Drugs Side Effects

     Article • The Bulletin of Mathematical Biophysics, July 2006, Springer Science + Business Media

     IKERBASQUE Professor Humberto González-Díaz

130. 
     3D-QSAR study for DNA cleavage proteins with a potential anti-tumor ATCUN-like motif

     Article • Journal of Inorganic Biochemistry, July 2006, Elsevier

     IKERBASQUE Professor Humberto González-Díaz

131. 
     QSAR study for mycobacterial promoters with low sequence homology

     Article • Bioorganic & Medicinal Chemistry Letters, February 2006, Elsevier

     IKERBASQUE Professor Humberto González-Díaz

132. 
     Stochastic entropy QSAR for the in silico discovery of anticancer compounds: Prediction, synthesis, and in vitro assay of new purine carbanucleosides

     Article • Bioorganic & Medicinal Chemistry, February 2006, Elsevier

     IKERBASQUE Professor Humberto González-Díaz

133. 
     A QSAR Model for in Silico Screening of MAO-A Inhibitors. Prediction, Synthesis, and Biological Assay of Novel Coumarins †

     Article • Journal of Medicinal Chemistry, February 2006, American Chemical Society (ACS)

     IKERBASQUE Professor Humberto González-Díaz

134. 
     Novel 2D maps and coupling numbers for protein sequences. The first QSAR study of polygalacturonases; isolation and prediction of a novel sequence fromPsidium guajavaL.

     Article • FEBS Letters, January 2006, Wiley

     IKERBASQUE Professor Humberto González-Díaz

135. 
     Proteins QSAR with Markov average electrostatic potentials

     Article • Bioorganic & Medicinal Chemistry Letters, November 2005, Elsevier

     IKERBASQUE Professor Humberto González-Díaz

136. 
     Unified drug–target interaction thermodynamic Markov model using stochastic entropies to predict multiple drugs side effects

     Article • European Journal of Medicinal Chemistry, October 2005, Elsevier

     IKERBASQUE Professor Humberto González-Díaz

137. 
     Stochastic molecular descriptors for polymers. 3. Markov electrostatic moments as polymer 2D-folding descriptors: RNA–QSAR for mycobacterial promoters

     Article • Polymer, August 2005, Elsevier

     IKERBASQUE Professor Humberto González-Díaz

138. 
     Recognition of stable protein mutants with 3D stochastic average electrostatic potentials

     Article • FEBS Letters, July 2005, Wiley

     IKERBASQUE Professor Humberto González-Díaz

139. 
     A topological substructural approach applied to the computational prediction of rodent carcinogenicity

     Article • Bioorganic & Medicinal Chemistry, April 2005, Elsevier

     IKERBASQUE Professor Humberto González-Díaz, Dr Miguel Ángel Cabrera-Pérez

140. 
     Stochastic molecular descriptors for polymers. 2. Spherical truncation of electrostatic interactions on entropy based polymers 3D-QSAR

     Article • Polymer, March 2005, Elsevier

     IKERBASQUE Professor Humberto González-Díaz

141. 
     3D QSAR Markov model for drug-induced eosinophilia—theoretical prediction and preliminary experimental assay of the antimicrobial drug G1

     Article • Bioorganic & Medicinal Chemistry, March 2005, Elsevier

     IKERBASQUE Professor Humberto González-Díaz

142. 
     QSAR for anti-RNA-virus activity, synthesis, and assay of anti-RSV carbonucleosides given a unified representation of spectral moments, quadratic, and topologic indices

     Article • Bioorganic & Medicinal Chemistry Letters, March 2005, Elsevier

     IKERBASQUE Professor Humberto González-Díaz

143. 
     Design, synthesis and photobiological properties of 3,4-cyclopentenepsoralens

     Article • Bioorganic & Medicinal Chemistry, February 2005, Elsevier

     IKERBASQUE Professor Humberto González-Díaz

144. 
     Unified Markov thermodynamics based on stochastic forms to classify drugs considering molecular structure, partition system, and biological species:

     Article • Bioorganic & Medicinal Chemistry Letters, February 2005, Elsevier

     IKERBASQUE Professor Humberto González-Díaz, Dr Miguel Ángel Cabrera-Pérez

145. 
     Stochastic-based descriptors studying biopolymers biological properties: Extended MARCH-INSIDE methodology describing antibacterial activity of lactoferricin derivatives

     Article • Biopolymers, January 2005, Wiley

     IKERBASQUE Professor Humberto González-Díaz

146. 
     Biopolymer stochastic moments. I. Modeling human rhinovirus cellular recognition with protein surface electrostatic moments

     Article • Biopolymers, January 2005, Wiley

     IKERBASQUE Professor Humberto González-Díaz

147. 
     Predicting stability of Arc repressor mutants with protein stochastic moments

     Article • Bioorganic & Medicinal Chemistry, January 2005, Elsevier

     IKERBASQUE Professor Humberto González-Díaz

148. 
     Protein Quadratic Indices of the “Macromolecular Pseudograph’s α-Carbon Atom Adjacency Matrix”. 1. Prediction of Arc Repressor Alanine-mutant’s Stability

     Article • Molecules, December 2004, MDPI AG

     IKERBASQUE Professor Humberto González-Díaz

149. 
     Nucleic Acid Quadratic Indices of the “Macromolecular Graph’s Nucleotides Adjacency Matrix”. Modeling of Footprints after the Interaction of Paromomycin with the HIV-1 Ψ-RNA Packaging Region

     Article • International Journal of Molecular Sciences, November 2004, MDPI AG

     IKERBASQUE Professor Humberto González-Díaz

150. 
     Computational method to predict human intestinal absorption

     Article • European Journal of Medicinal Chemistry, November 2004, Elsevier

     IKERBASQUE Professor Humberto González-Díaz, Marival Bermejo Sanz, Dr Miguel Ángel Cabrera-Pérez

151. 
     Stochastic-based descriptors studying peptides biological properties: modeling the bitter tasting threshold of dipeptides

     Article • Bioorganic & Medicinal Chemistry, September 2004, Elsevier

     IKERBASQUE Professor Humberto González-Díaz

152. 
     TOPS-MODE based QSARs derived from heterogeneous series of compounds. Applications to the design of new anti-inflammatory compounds

     Article • Bioorganic & Medicinal Chemistry, August 2004, Elsevier

     Professor Luiz C Dias, IKERBASQUE Professor Humberto González-Díaz

153. 
     Designing Antibacterial Compounds Through a Topological Substructural Approach.

     Article • ChemInform, June 2004, Wiley

     IKERBASQUE Professor Humberto González-Díaz

154. 
     Markovian Backbone Negentropies: Molecular descriptors for protein research. I. Predicting protein stability in Arc repressor mutants

     Article • Proteins Structure Function and Bioinformatics, May 2004, Wiley

     IKERBASQUE Professor Humberto González-Díaz

155. 
     A TOPS-MODE approach to predict permeability coefficients

     Article • Polymer, March 2004, Elsevier

     IKERBASQUE Professor Humberto González-Díaz

156. 
     3D-MEDNEs:  An Alternative “In Silico” Technique for Chemical Research in Toxicology. 1. Prediction of Chemically Induced Agranulocytosis

     Article • Chemical Research in Toxicology, October 2003, American Chemical Society (ACS)

     IKERBASQUE Professor Humberto González-Díaz, Dr Miguel Ángel Cabrera-Pérez

157. 
     TOPS-MODE Based QSARs Derived from Heterogeneous Series of Compounds. Applications to the Design of New Herbicides.

     Article • ChemInform, September 2003, Wiley

     IKERBASQUE Professor Humberto González-Díaz