Publicaciones en colaboración con investigadores/as de King's College London (22)

2021

  1. Drug reformulation for a neglected disease. The nanohat project to develop a safer more effective sleeping sickness drug

    PLoS Neglected Tropical Diseases, Vol. 15, Núm. 4

  2. Morphology of bile salts micelles and mixed micelles with lipolysis products, from scattering techniques and atomistic simulations

    Journal of Colloid and Interface Science, Vol. 587, pp. 522-537

  3. Solubilisation of salicylate in F127 micelles: Effect of pH and temperature on morphology and interactions with cyclodextrin

    Journal of Molecular Liquids, Vol. 322

  4. The role of conserved residues in the DEDDh Motif: The proton-Transfer mechanism of HIV-1 RNase H

    ACS Catalysis, Vol. 11, pp. 7915-7927

2020

  1. Antibiotic-in-Cyclodextrin-in-Liposomes: Formulation Development and Interactions with Model Bacterial Membranes

    Molecular pharmaceutics, Vol. 17, Núm. 7, pp. 2354-2369

2017

  1. Insights into functions of the H channel of cytochrome c oxidase from atomistic molecular dynamics simulations

    Proceedings of the National Academy of Sciences of the United States of America, Vol. 114, Núm. 48, pp. E10339-E10348

2016

  1. Competitive and Synergistic Interactions between Polymer Micelles, Drugs, and Cyclodextrins: The Importance of Drug Solubilization Locus

    Langmuir, Vol. 32, Núm. 49, pp. 13174-13186

  2. Light-Regulated Molecular Trafficking in a Synthetic Water-Soluble Host

    Journal of the American Chemical Society, Vol. 138, Núm. 18, pp. 5745-5748

  3. Phosphorylation of RAF kinase dimers drives conformational changes that facilitate transactivation

    Angewandte Chemie - International Edition, Vol. 55, Núm. 3, pp. 983-986

  4. Understanding the Mechanism of the Hydrogen Abstraction from Arachidonic Acid Catalyzed by the Human Enzyme 15-Lipoxygenase-2. A Quantum Mechanics/Molecular Mechanics Free Energy Simulation

    Journal of Chemical Theory and Computation, Vol. 12, Núm. 4, pp. 2079-2090

2015

  1. Divergence from the classical hydroboration reactivity; boron containing materials through a hydroboration cascade of small cyclic dienes

    Chemical Science, Vol. 6, Núm. 11, pp. 6262-6269

  2. Mutations decouple proton transfer from phosphate cleavage in the dutpase catalytic reaction

    ACS Catalysis, Vol. 5, Núm. 6, pp. 3225-3237

2014

  1. Direct evidence for a peroxide intermediate and a reactive enzyme-substrate-dioxygen configuration in a cofactor-free oxidase

    Angewandte Chemie - International Edition, Vol. 53, Núm. 50, pp. 13710-13714

  2. Modulating Pluronics micellar rupture with cyclodextrins and drugs: Effect of pH and temperature

    Journal of Physics: Conference Series

  3. Molecular mechanisms of asymmetric RAF dimer activation

    Biochemical Society Transactions

  4. Remarkable viscoelasticity in mixtures of cyclodextrins and nonionic surfactants

    Langmuir, Vol. 30, Núm. 39, pp. 11552-11562

2013

  1. Exploring the role of the 5-substituent for the intrinsic fluorescence of 5-aryl and 5-heteroaryl uracil nucleotides: A systematic study

    Organic and Biomolecular Chemistry, Vol. 11, Núm. 37, pp. 6357-6371

  2. Tuning the viscoelasticity of nonionic wormlike micelles with β-cyclodextrin derivatives: A highly discriminative process

    Langmuir, Vol. 29, Núm. 25, pp. 7697-7708

  3. Understanding the reaction between muonium atoms and hydrogen molecules: Zero point energy, tunnelling, and vibrational adiabaticity

    Molecular Physics, Vol. 111, Núm. 21, pp. 3169-3181

2012

  1. Rupture of pluronic micelles by Di-methylated β-cyclodextrin is not due to polypseudorotaxane formation

    Journal of Physical Chemistry B, Vol. 116, Núm. 4, pp. 1273-1281