| 1 |
Tuning of activity and selectivity of Ni/(Al)SBA-15 catalysts in naphthalene hydrogenation
Vargas-Villagran H, Ramirez-Suarez D, Ramirez-Munoz G, Calzada LA, Gonzalez-Garcia G, Klimova TE
Catalysis Today, 360, 27, 2021 |
| 2 |
Alternative Interdomain Configurations of the Full-Length MMP-2 Enzyme Explored by Molecular Dynamics Simulations
Diaz N, Suarez D
Journal of Physical Chemistry B, 116(9), 2677, 2012 |
| 3 |
Ab Initio Benchmark Calculations on Ca(II) Complexes and Assessment of Density Functional Theory Methodologies
Suarez D, Rayon VM, Diaz N, Valdes H
Journal of Physical Chemistry A, 115(41), 11331, 2011 |
| 4 |
Understanding Regioselective Cleavage in Peptide Hydrolysis by a Palladium(II) Aqua Complex: A Theoretical Point of View
Yeguas V, Campomanes P, Lopez R, Diaz N, Suarez D
Journal of Physical Chemistry B, 114(25), 8525, 2010 |
| 5 |
Peptide hydrolysis catalyzed by matrix metalloproteinase 2: A computational study
Diaz N, Suarez D
Journal of Physical Chemistry B, 112(28), 8412, 2008 |
| 6 |
Entropic Control of the Relative Stability of Triple-helical Collagen Peptide Models
Suarez E, Diaz N, Suarez D
Journal of Physical Chemistry B, 112(47), 15248, 2008 |
| 7 |
From the X-ray Compact Structure to the Elongated Form of the Full-Length MMP-2 Enzyme in Solution: A Molecular Dynamics Study
Diaz N, Suarez D, Valdes H
Journal of the American Chemical Society, 130(43), 14070, 2008 |
| 8 |
Quantum chemical study on the coordination environment of the catalytic zinc ion in matrix metalloproteinases
Diaz N, Suarez D, Sordo TL
Journal of Physical Chemistry B, 110(47), 24222, 2006 |
| 9 |
Infrared spectroscopy of carbon materials: A quantum chemical study of model compounds
Fuente E, Menendez JA, Diez MA, Suarez D, Montes-Moran MA
Journal of Physical Chemistry B, 107(26), 6350, 2003 |
| 10 |
Insights into the acylation mechanism of class A beta-lactamases from molecular dynamics simulations of the TEM-1 enzyme complexed with benzylpenicillin
Diaz N, Sordo TL, Merz KM, Suarez D
Journal of the American Chemical Society, 125(3), 672, 2003 |
