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NATALIA
DIAZ FERNANDEZ

Profesora Titular de Universidad

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Publications (7) NATALIA DIAZ FERNANDEZ publications View referenced research data.

Pharmacology

2024

Assessing the Interactions between Snake Venom Metalloproteinases and Hydroxamate Inhibitors Using Kinetic and ITC Assays, Molecular Dynamics Simulations and MM/PBSA-Based Scoring Functions
ACS Omega, Vol. 9, Núm. 51, pp. 50599-50621

2022

Amphiphilic cyclodextrins: Dimerization and diazepam binding explored by molecular dynamics simulations
Journal of Molecular Liquids, Vol. 349

2004

Zn2+ catalysed hydrolysis of β-lactams: Experimental and theoretical studies on the influence of the β-lactam structure
New Journal of Chemistry, Vol. 28, Núm. 1, pp. 15-25

2001

Acylation of class A β-lactamases by penicillins: A theoretical examination of the role of serine 130 and the β-lactam carboxylate group
Journal of Physical Chemistry B, Vol. 105, Núm. 45, pp. 11302-11313
Molecular dynamics simulations of the mononuclear zinc-β-lactamase from Bacillus cereus complexed with benzylpenicillin and a quantum chemical study of the reaction mechanism
Journal of the American Chemical Society, Vol. 123, Núm. 40, pp. 9867-9879

2000

Zinc metallo-β-lactamase from Bacteroides fragilis: A quantum chemical study on model systems of the active site
Journal of the American Chemical Society, Vol. 122, Núm. 17, pp. 4197-4208

1999

NH3-assisted ammonolysis of β-lactams: A theoretical study
Journal of Organic Chemistry, Vol. 64, Núm. 9, pp. 3281-3289