Publicaciones en colaboración con investigadores/as de Free University of Berlin (3)

2018

  1. MSM/RD: Coupling Markov state models of molecular kinetics with reaction-diffusion simulations

    Journal of Chemical Physics, Vol. 148, Núm. 21

2005

  1. Optical absorption of the blue fluorescent protein: A first-principles study

    Journal of the American Chemical Society, Vol. 127, Núm. 35, pp. 12329-12337

1999

  1. Combined ab Initio Computational and Statistical Investigation of a Model C - H⋯O Hydrogen Bonded Dimer as Occurring in 1,4-Benzoquinone

    Journal of Physical Chemistry A, Vol. 103, Núm. 15, pp. 2784-2792