artículo

• “Prediction of proton affinities of organic molecules with the Any-Particle Molecular-Orbital second-order proton propagator approach”. 2016
• “Stability of transient Cu -Aβ(1-16) species and influence of coordination and peptide configu- ration on superoxide formation”. 2016
• “Coordination properties of metal chelator clioquinol to Zn studied by static DFT and ab initio molecular dynamics”. 2015
• “Dioxygen activation in Cu-amyloid β complex”. 2015
• “Modelling Cu -Aβ complexes from computational approaches”. 2015
• “Thioflavin-based molecular probes for application in Alzheimer’s disease: from in silico to in vitro models”. 2015
• “3D structures and redox potentials of Cu –Aβ(1–16) complexes at different pH: a computa- tional study”. 2014
• “Insights on the binding of thioflavin derivative markers to amyloid-like fibril models from quantum chemical calculations”. 2013
• “The folding of Acetyl(Ala) NH and Acetyl(Ala) NH extended strand peptides into antipar- 28 2 40 2 allel β-sheets. A density functional theory study of β-sheets with β-turns”. 2012
• “Three dimensional models of Cu -Aβ (1–16) complexes from computational approaches”. 2011