Publications by the researcher in collaboration with Ángel Piñeiro Guillén (29)

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. Classical Simulations on Quantum Computers: Interface-Driven Peptide Folding on Simulated Membrane Surfaces

    Computers in Biology and Medicine, Vol. 182

  4. 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

  5. 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

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

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

  7. Simulating Bacterial Membrane Models at the Atomistic Level: A Force Field Comparison

    Journal of Chemical Theory and Computation

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

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

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

    Frontiers in Immunology, Vol. 15

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

    Carbohydrate Polymers, Vol. 334