Publicacións en colaboración con investigadores/as de Universidade de Santiago de Compostela (25)

2020

  1. Discovery of novel immunopharmacological ligands targeting the IL-17 inflammatory pathway

    International Immunopharmacology, Vol. 89

2018

  1. Perturbation Theory/Machine Learning Model of ChEMBL Data for Dopamine Targets: Docking, Synthesis, and Assay of New l -Prolyl- l -leucyl-glycinamide Peptidomimetics

    ACS Chemical Neuroscience, Vol. 9, Núm. 11, pp. 2572-2587

2016

  1. Microemulsions for colorectal cancer treatments. General considerations and formulation of methotrexate

    Mini-Reviews in Medicinal Chemistry, Vol. 16, Núm. 6, pp. 498-508

2015

  1. Bio-AIMS collection of chemoinformatics web tools based on molecular graph information and Artificial Intelligence Models

    Combinatorial Chemistry and High Throughput Screening, Vol. 18, Núm. 8, pp. 735-750

  2. MI-NODES multiscale models of metabolic reactions, brain connectome, ecological, epidemic, world trade, and legal-social networks

    Current Bioinformatics, Vol. 10, Núm. 5, pp. 692-713

  3. MIANN models of networks of biochemical reactions, ecosystems, and U.S. supreme court with Balaban-Markov indices

    Current Bioinformatics, Vol. 10, Núm. 5, pp. 658-671

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

    BioSystems, Vol. 132-133, pp. 20-34

2014

  1. 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

    Journal of Chemical Information and Modeling, Vol. 54, Núm. 3, pp. 744-755

  2. 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

    Molecular Informatics, Vol. 33, Núm. 4, pp. 276-285

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

    Chemometrics and Intelligent Laboratory Systems, Vol. 138, pp. 161-170

  4. Modeling complex metabolic reactions, ecological systems, and financial and legal networks with MIANN models based on Markov-Wiener node descriptors

    Journal of Chemical Information and Modeling, Vol. 54, Núm. 1, pp. 16-29

2013

  1. MIANN models in medicinal, Physical and Organic Chemistry

    Current Topics in Medicinal Chemistry, Vol. 13, Núm. 5, pp. 619-641

  2. S2SNET: A tool for transforming characters and numeric sequences into star network topological indices in chemoinformatics, bioinformatics, biomedical, and social-legal sciences

    Current Bioinformatics, Vol. 8, Núm. 4, pp. 429-437

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

    BioSystems, Vol. 111, Núm. 3, pp. 199-207

2012

  1. 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

    Molecular BioSystems, Vol. 8, Núm. 3, pp. 851-862

2011

  1. MIND-BEST: Web server for drugs and target discovery; Design, synthesis, and assay of MAO-B inhibitors and theoretical-experimental study of G3PDH protein from trichomonas gallinae

    Journal of Proteome Research, Vol. 10, Núm. 4, pp. 1698-1718

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

    Molecular BioSystems, Vol. 7, Núm. 6, pp. 1938-1955

  3. Markov Entropy Centrality: Chemical, Biological, Crime, and Legislative Networks

    TOWARDS AN INFORMATION THEORY OF COMPLEX NETWORKS: STATISTICAL METHODS AND APPLICATIONS (BIRKHAUSER BOSTON), pp. 199-258

2010

  1. Directed network topological indices for van der Waals complexes based on coupled cluster interaction energies

    Topological Indices for Medicinal Chemistry, Biology, Parasitology, and Social Networks (Research Signpost), pp. 35-52

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

    Polymer, Vol. 51, Núm. 1, pp. 264-273