Publicaciones (184) Publicaciones en las que ha participado algún/a investigador/a

2024

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

    Carbohydrate Polymers, Vol. 323

  2. CYCLOPEp Builder: Facilitating cyclic peptide and nanotube research through a user-friendly web platform

    Computational and Structural Biotechnology Journal, Vol. 25, pp. 91-94

  3. 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

  4. Decoding the conformational binding of drug mixtures on ovalbumin: An integrated multimodal network

    International Journal of Biological Macromolecules, Vol. 261

  5. Integrating classical and fractional calculus rheological models in developing hydroxyapatite-enhanced hydrogels

    Physics of Fluids, Vol. 36, Núm. 7

  6. 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

  7. Measurement and prediction of excess molar enthalpies of ternary mixtures involving ether with 1-alkanol and n-alkane

    Journal of Molecular Liquids, Vol. 408

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

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

  9. Unlocking the specificity of antimicrobial peptide interactions for membrane-targeted therapies

    Computational and Structural Biotechnology Journal, Vol. 25, pp. 61-74

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

    Frontiers in Immunology, Vol. 15

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

    Carbohydrate Polymers, Vol. 334

2023

  1. Computational Modeling on Binding Interactions of Cyclodextrins with the Human Multidrug Resistance P-glycoprotein Toward Efficient Drug-delivery System Applications

    Current Topics in Medicinal Chemistry, Vol. 23, Núm. 1, pp. 62-75

  2. Engineering and slow-release properties of lignin-based double-layer coated fertilizer

    Polymers for Advanced Technologies, Vol. 34, Núm. 6, pp. 2029-2043

  3. Killing Bacteria by Faradaic Processes through Nano-Hydroxyapatite/MoO xPlatforms

    ACS Applied Materials and Interfaces, Vol. 15, Núm. 21, pp. 25884-25897

  4. Microfluidic Fabrication of Gadolinium-Doped Hydroxyapatite for Theragnostic Applications

    Nanomaterials, Vol. 13, Núm. 3

  5. 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

  6. Revealing the binding dynamics between catanionic surfactants and lysozyme: A synergistic computational approach coupled with experimental validation

    Journal of Molecular Liquids, Vol. 390

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

    Pharmaceuticals, Vol. 16, Núm. 6

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

    Diseases, Vol. 11, Núm. 4

  9. 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