Publicaciones en las que colabora con Haydée Valdés González (6)

2013

  1. Unraveling the molecular structure of the catalytic domain of matrix metalloproteinase-2 in complex with a triple-helical peptide by means of molecular dynamics simulations

    Biochemistry, Vol. 52, Núm. 47, pp. 8556-8569

2011

  1. Ab initio benchmark calculations on Ca(II) complexes and assessment of density functional theory methodologies

    Journal of Physical Chemistry A, Vol. 115, Núm. 41, pp. 11331-11343

2010

  1. Interdomain conformations in the full-length MMP-2 enzyme explored by protein-protein docking calculations using pyDock

    Journal of Chemical Theory and Computation, Vol. 6, Núm. 7, pp. 2204-2213

  2. Ketone-alcohol hydrogen-transfer equilibria: Is the biooxidation of halohydrins blocked?

    Chemistry - A European Journal, Vol. 16, Núm. 36, pp. 11012-11019

2008

  1. From the X-ray compact structure to the elongated form of the full-length MMP-2 enzyme in solution: A molecular dynamics study

    Journal of the American Chemical Society, Vol. 130, Núm. 43, pp. 14070-14071

  2. Monoligand Zn(II) complexes: Ab initio benchmark calculations and comparison with density functional theory methodologies

    Journal of Chemical Theory and Computation, Vol. 4, Núm. 2, pp. 243-256