Publications (72) REBECA GARCIA FANDIÑO publications

2024

  1. Addressing the complexities in measuring cyclodextrin-sterol binding constants: A multidimensional study

    Carbohydrate Polymers, Vol. 323

  2. Cyclodextrins: Establishing building blocks for AI-driven drug design by determining affinity constants in silico

    Computational and Structural Biotechnology Journal, Vol. 23, pp. 1117-1128

  3. Lipidomics signature in post-COVID patient sera and its influence on the prolonged inflammatory response

    Journal of Infection and Public Health, Vol. 17, Núm. 4, pp. 588-600

  4. Overlay databank unlocks data-driven analyses of biomolecules for all

    Nature communications, Vol. 15, Núm. 1, pp. 1136

  5. Unraveling lipid and inflammation interplay in cancer, aging and infection for novel theranostic approaches

    Frontiers in Immunology, Vol. 15

  6. Unraveling the molecular dynamics of sugammadex-rocuronium complexation: A blueprint for cyclodextrin drug design

    Carbohydrate Polymers, Vol. 334

2023

  1. Design, Development and Validation of an Educational Methodology Using Immersive Augmented Reality for STEAM Education

    NAER: Journal of New Approaches in Educational Research, Vol. 12, Núm. 1, pp. 19-39

  2. Grado de aceptación de los sistemas de evaluación digitales adaptados al uso de recursos tecnológicos educativos basados en Realidad Aumentada

    RELATEC: Revista Latinoamericana de Tecnología Educativa, Vol. 22, Núm. 2, pp. 135-148

  3. Molecular insights into the effects of focused ultrasound mechanotherapy on lipid bilayers: Unlocking the keys to design effective treatments

    Journal of Colloid and Interface Science, Vol. 650, pp. 1201-1210

  4. The Role of AI in Drug Discovery: Challenges, Opportunities, and Strategies

    Pharmaceuticals, Vol. 16, Núm. 6

  5. Uncovering the mechanisms of cyclic peptide self-assembly in membranes with the chirality-aware MA(R/S)TINI forcefield

    Journal of Colloid and Interface Science, Vol. 642, pp. 84-99

  6. β-Peptides incorporating polyhydroxylated cyclohexane β-amino acid: synthesis and conformational study

    Organic and Biomolecular Chemistry, Vol. 21, Núm. 42, pp. 8535-8547

2022

  1. Molecular Dynamics Simulations of Transmembrane Cyclic Peptide Nanotubes Using Classical Force Fields, Hydrogen Mass Repartitioning, and Hydrogen Isotope Exchange Methods: A Critical Comparison

    International Journal of Molecular Sciences, Vol. 23, Núm. 6

  2. Not so rigid capsids based on cyclodextrin complexes: Keys to design

    Journal of Colloid and Interface Science, Vol. 623, pp. 938-946

  3. Partition of antimicrobial D-L-α-cyclic peptides into bacterial model membranes

    Biochimica et Biophysica Acta - Biomembranes, Vol. 1864, Núm. 1

  4. Remdesivir interactions with sulphobutylether-β-cyclodextrins: A case study using selected substitution patterns

    Journal of Molecular Liquids, Vol. 346

  5. Retos del profesorado en los nuevos contextos de enseñanza-aprendizaje. Innovación educativa en asignaturas de ciencias de Educación Secundaria con recursos tecnológicos inmersivos

    Docencia y aprendizaje: Competencias, identidad y formación de profesorado (Tirant Humanidades), pp. 727-746

  6. SuPepMem: A database of innate immune system peptides and their cell membrane interactions

    Computational and Structural Biotechnology Journal, Vol. 20, pp. 874-881

  7. Unravelling hierarchical levels of structure in lipid membranes

    Computational and Structural Biotechnology Journal, Vol. 20, pp. 2798-2806

2021

  1. Aggregation versus inclusion complexes to solubilize drugs with cyclodextrins. A case study using sulphobutylether-β-cyclodextrins and remdesivir

    Journal of Molecular Liquids, Vol. 343