Publicaciones en colaboración con investigadores/as de University College London (7)

2017

  1. Mechanism of O2 diffusion and reduction in FeFe hydrogenases

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

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

2015

  1. Identification of mutational hot spots for substrate diffusion: Application to myoglobin

    Journal of Chemical Theory and Computation, Vol. 11, Núm. 4, pp. 1919-1927

2014

  1. Aerobic damage to [FeFe]-hydrogenases: Activation barriers for the chemical attachment of O2

    Angewandte Chemie - International Edition, Vol. 53, Núm. 16, pp. 4081-4084

  2. Interplay between partner and ligand facilitates the folding and binding of an intrinsically disordered protein

    Proceedings of the National Academy of Sciences of the United States of America, Vol. 111, Núm. 43, pp. 15420-15425

2006

  1. Electronic excitation energies of ZniSi nanoparticles

    Nanotechnology, Vol. 17, Núm. 16, pp. 4100-4105

2005

  1. Structure and properties of ZnS nanoclusters

    Journal of Physical Chemistry B, Vol. 109, Núm. 7, pp. 2703-2709