Publicaciones en colaboración con investigadores/as de King's College London (11)

2021

  1. 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

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

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

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

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

  3. 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. Molecular mechanisms of asymmetric RAF dimer activation

    Biochemical Society Transactions

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. 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