Publicaciones en colaboración con investigadores/as de Centro de Investigación Cooperativa en Nanociencias (32)

2023

  1. Compliant mechanical response of the ultrafast folding protein EnHD under force

    Communications Physics, Vol. 6, Núm. 1

  2. Entropy-enthalpy interplay in aluminum bound neurofilaments

    Biophysical journal, Vol. 122, Núm. 3S1

2022

  1. Semi-empirical and linear-scaling DFT methods to characterize duplex DNA and G-quadruplexes in the presence of interacting small molecules

    Physical Chemistry Chemical Physics, Vol. 24, Núm. 19, pp. 11510-11519

  2. Unravelling the binding affinity and selectivity of molybdenum(ii) phenanthroline complexes with DNA G-quadruplexes by using linear-scaling DFT studies. The important role of ancillary ligands

    Physical Chemistry Chemical Physics, Vol. 24, Núm. 42, pp. 25918-25929

2021

  1. Mechanistic Insights into Promoted Hydrolysis of Phosphoester Bonds by MoO2Cl2(DMF)2

    Inorganic Chemistry, Vol. 60, Núm. 15, pp. 11177-11191

  2. New insights on the interaction of phenanthroline based ligands and metal complexes and polyoxometalates with duplex dna and g-quadruplexes

    Molecules, Vol. 26, Núm. 16

  3. Role of Dispersion Interactions in Endohedral TM@(ZnS)12Structures

    ACS Omega

2020

  1. Computational Studies on the Binding Preferences of Molybdenum(II) Phenanthroline Complexes with Duplex DNA. The Important Role of the Ancillary Ligands

    Inorganic Chemistry, Vol. 59, Núm. 17, pp. 12711-12721

2019

  1. Resurrection of efficient Precambrian endoglucanases for lignocellulosic biomass hydrolysis

    Communications Chemistry, Vol. 2, Núm. 1

2018

  1. Fullerene-Based Materials as Hole-Transporting/Electron-Blocking Layers: Applications in Perovskite Solar Cells

    Chemistry - A European Journal, Vol. 24, Núm. 34, pp. 8524-8529

  2. Instrumental Effects in the Dynamics of an Ultrafast Folding Protein under Mechanical Force

    Journal of Physical Chemistry B, Vol. 122, Núm. 49, pp. 11147-11154

  3. Mechanical architecture and folding of E. coli type 1 pilus domains

    Nature Communications, Vol. 9, Núm. 1

  4. Reversible two-state folding of the ultrafast protein gpW under mechanical force

    Communications Chemistry, Vol. 1, Núm. 1

  5. The life of proteins under mechanical force

    Chemical Society Reviews, Vol. 47, Núm. 10, pp. 3558-3573

2017

  1. Interplay between the folding mechanism and binding modes in folding coupled to binding processes

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 42, pp. 28512-28516

  2. Mechanism of O2 diffusion and reduction in FeFe hydrogenases

    Nature Chemistry, Vol. 9, Núm. 1, pp. 88-95

  3. Mechanochemical evolution of the giant muscle protein titin as inferred from resurrected proteins

    Nature Structural and Molecular Biology, Vol. 24, Núm. 8, pp. 652-657

  4. Simulations of water nano-confined between corrugated planes

    Journal of Chemical Physics, Vol. 147, Núm. 19

  5. The influence of disulfide bonds on the mechanical stability of proteins is context dependent

    Journal of Biological Chemistry, Vol. 292, Núm. 32, pp. 13374-13380

2016

  1. Computation of Rate Constants for Diffusion of Small Ligands to and from Buried Protein Active Sites

    Methods in Enzymology (Academic Press Inc.), pp. 299-326