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List of works by Jorge Alí-Torres

3D structures and redox potentials of Cu2+-Aβ(1-16) complexes at different pH: a computational study

scientific article published on 28 April 2014

Ab initio design of chelating ligands relevant to Alzheimer's disease: influence of metalloaromaticity

scientific article published on 23 June 2011

Capping amyloid β-sheets of the tau-amyloid structure VQIVYK with hexapeptides designed to arrest growth. An ONIOM and density functional theory study

scientific article published on 17 March 2014

Computational calculations of pKa values of imidazole in Cu(ii) complexes of biological relevance

scientific article published on 29 March 2011

Coordination properties of a metal chelator clioquinol to Zn(2+) studied by static DFT and ab initio molecular dynamics

scientific article published on 01 May 2015

Density functional theory study of β-hairpins in antiparallel β-sheets, a new classification based upon H-bond topology.

scientific article

Dioxygen activation in the Cu-amyloid β complex.

scientific article

In silico strategies for the selection of chelating compounds with potential application in metal-promoted neurodegenerative diseases

scientific article published on 01 January 2011

Modeling Cu2+-Aβ complexes from computational approaches

Prediction of proton affinities of organic molecules using the any-particle molecular-orbital second-order proton propagator approach

scientific article

Structures and stabilities of Fe2+/3+ complexes relevant to Alzheimer's disease: an ab initio study

scientific article published on 16 June 2011

The folding of acetyl(Ala)28NH2 and acetyl(Ala)40NH2 extended strand peptides into antiparallel β-sheets. A density functional theory study of β-sheets with β-turns.

scientific article

Thioflavin-based molecular probes for application in Alzheimer's disease: from in silico to in vitro models

scientific article

Three dimensional models of Cu(2+)-Aβ(1-16) complexes from computational approaches

scientific article published on 2 September 2011

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