Publicacions en col·laboració amb investigadors/es de Universidade de Santiago de Compostela (153)

2023

  1. Trends in Nanoparticles for Leishmania Treatment: A Bibliometric and Network Analysis

    Diseases, Vol. 11, Núm. 4

2021

  1. Synthesis, Pharmacological, and Biological Evaluation of 2-Furoyl-Based MIF-1 Peptidomimetics and the Development of a General-Purpose Model for Allosteric Modulators (ALLOPTML)

    ACS Chemical Neuroscience, Vol. 12, Núm. 1, pp. 203-215

2019

  1. Perturbation Theory Machine Learning Modeling of Immunotoxicity for Drugs Targeting Inflammatory Cytokines and Study of the Antimicrobial G1 Using Cytometric Bead Arrays

    Chemical Research in Toxicology, Vol. 32, Núm. 9, pp. 1811-1823

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

2017

  1. A study of the Immune Epitope Database for some fungi species using network topological indices

    Molecular Diversity, Vol. 21, Núm. 3, pp. 713-718

  2. Multi-target mining of alzheimer disease proteome with Hansch’s QSBR-perturbation theory and experimental-theoretic study of new thiophene isosters of rasagiline

    Current Drug Targets, Vol. 18, Núm. 5, pp. 511-521

2016

  1. Computational modeling and experimental facts of mixed self-assembly systems

    Current Pharmaceutical Design, Vol. 22, Núm. 34, pp. 5249-5256

  2. Experimental-theoretic approach to drug-lymphocyte interactome networks with flow cytometry and spectral moments perturbation theory

    Current Pharmaceutical Design, Vol. 22, Núm. 33, pp. 5114-5119

  3. QSPR-Perturbation Models for the Prediction of B-Epitopes from Immune Epitope Database: A Potentially Valuable Route for Predicting “In Silico” New Optimal Peptide Sequences and/or Boundary Conditions for Vaccine Development

    International Journal of Peptide Research and Therapeutics, Vol. 22, Núm. 4, pp. 445-450

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

  5. Multiscale mapping of AIDS in U.S. countries vs anti-HIV drugs activity with complex networks and information indices

    Current Bioinformatics, Vol. 10, Núm. 5, pp. 639-657

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

    Langmuir, Vol. 31, Núm. 44, pp. 12009-12018

2014

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

    Journal of Theoretical Biology, Vol. 343, pp. 16-24

  2. 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

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

    Environment International, Vol. 73, pp. 288-294

  4. 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

    Environmental Science and Technology, Vol. 48, Núm. 24, pp. 14686-14694

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

    Nanoscale, Vol. 6, Núm. 18, pp. 10623-10630