Publicacións (20) Publicacións de Ángel Piñeiro Guillén

filter_list Organic Chemistry

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

    Carbohydrate Polymers, Vol. 334

2022

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

    Journal of Molecular Liquids, Vol. 346

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

  2. Cyclodextrin dimers: A versatile approach to optimizing encapsulation and their application to therapeutic extraction of toxic oxysterols

    International Journal of Pharmaceutics, Vol. 606

  3. Transmembrane Self-Assembled Cyclic Peptide Nanotubes Based on α‐Residues and Cyclic δ‐Amino Acids: A Computational Study

    Frontiers in Chemistry, Vol. 9

2020

  1. Rings, Hexagons, Hetals, and Dipolar Moment Sink-Sources: The Fanciful Behavior of Water around Cyclodextrin Complexes

    Biomolecules, Vol. 10, Núm. 3

2014

  1. Surface adsorption and bulk aggregation of cyclodextrins by computational molecular dynamics simulations as a function of temperature: α-CD vs β-CD

    Journal of Physical Chemistry B, Vol. 118, Núm. 25, pp. 6999-7011

2013

  1. Cooperative assembly of discrete stacked aggregates driven by supramolecular host-guest complexation

    Journal of Organic Chemistry, Vol. 78, Núm. 18, pp. 9113-9119

  2. Testing the effect of the cavity size and the number of molecular substitutions in host-guest complexes formed by 2-hydroxypropyl-cyclodextrins and n-octyl-β-d-glucopyranoside

    Journal of Chemical Thermodynamics, Vol. 67, pp. 112-119

2011

  1. Molecular dynamics simulations reveal insights into key structural elements of adenosine receptors

    Biochemistry, Vol. 50, Núm. 19, pp. 4194-4208

2010

  1. On the self-assembly of a highly selective benzothiazole-based tim inhibitor in aqueous solution

    Langmuir, Vol. 26, Núm. 22, pp. 16681-16689

  2. Similarities and differences between cyclodextrin-sodium dodecyl sulfate host-guest complexes of different stoichiometries: Molecular dynamics simulations at several temperatures

    Journal of Physical Chemistry B, Vol. 114, Núm. 39, pp. 12455-12467

2007

  1. On the characterization of host-guest complexes: Surface tension, calorimetry, and molecular dynamics, of cyclodextrins with a non-ionic surfactant

    Journal of Physical Chemistry B, Vol. 111, Núm. 17, pp. 4383-4392

2003

  1. Thermodynamics of mixtures involving some linear or cyclic ketones and cyclic ethers. 2. Systems containing tetrahydropyran

    Journal of Chemical and Engineering Data, Vol. 48, Núm. 3, pp. 712-719

  2. Thermodynamics of mixtures involving some linear or cyclic ketones and cyclic ethers. 3. Systems containing 1,4-dioxane

    Journal of Chemical and Engineering Data

2002

  1. Thermodynamics of mixtures involving some linear or cyclic ketones and cyclic ethers. 1. Systems containing tetrahydrofuran

    Journal of Chemical and Engineering Data, Vol. 47, Núm. 2, pp. 351-358

2001

  1. Excess molar enthalpies of tetrahydrofuran or diisopropyl ether + 1-alkanols at 298.15 K, using a newly designed flow mixing cell for an isothermal microcalorimeter

    Journal of Chemical and Engineering Data, Vol. 46, Núm. 5, pp. 1274-1279

1999

  1. Heat capacities, excess enthalpies, and volumes of mixtures containing cyclic ethers. 4. Binary systems 1,4-dioxane+1-alkanols

    Journal of Chemical and Engineering Data, Vol. 44, Núm. 5, pp. 948-954