Química Orgánica e Inorgánica
Departamento
Universidade de Santiago de Compostela
Santiago de Compostela, EspañaPublicaciones en colaboración con investigadoras/es de Universidade de Santiago de Compostela (179)
2023
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H(N3)dap (Hdap = 2,6-Diaminopurine) Recognition by Cu2(EGTA): Structure, Physical Properties, and Density Functional Theory Calculations of [Cu4(μ-EGTA)2(μ-H(N3)dap)2(H2O)2]·7H2O
Molecules, Vol. 28, Núm. 17
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Perchlorate-induced structural diversity in thiosemicarbazone copper(ii) complexes provides insights to understand the reactivity in acidic and basic media
CrystEngComm, Vol. 25, Núm. 15, pp. 2213-2226
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Trends in Nanoparticles for Leishmania Treatment: A Bibliometric and Network Analysis
Diseases, Vol. 11, Núm. 4
2022
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The spike of SARS-CoV-2 promotes metabolic rewiring in hepatocytes
Communications Biology, Vol. 5, Núm. 1
2021
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Rational Design of Copper(II)-Uracil Nanoprocessed Coordination Polymers to Improve Their Cytotoxic Activity in Biological Media
ACS Applied Materials and Interfaces, Vol. 13, Núm. 31, pp. 36948-36957
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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
2020
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Dissection of the key steps of amyloid-β peptide 1–40 fibrillogenesis
International Journal of Biological Macromolecules, Vol. 164, pp. 2240-2246
2019
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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
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Environmental Effects Determine the Structure of Potential β-Amino Acid Based Foldamers
Chemistry - A European Journal, Vol. 24, Núm. 42, pp. 10625-10629
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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
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Study of bioconcentration of oxybenzone in gilt-head bream and characterization of its by-products
Chemosphere, Vol. 208, pp. 399-407
2017
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A study of the Immune Epitope Database for some fungi species using network topological indices
Molecular Diversity, Vol. 21, Núm. 3, pp. 713-718
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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
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Computational modeling and experimental facts of mixed self-assembly systems
Current Pharmaceutical Design, Vol. 22, Núm. 34, pp. 5249-5256
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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
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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
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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
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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
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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
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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