Jorge Alí-Torres
TitleCited byYear
Three Dimensional Models of Cu2+-Aβ(1–16) Complexes from Computational Approaches
J Alí-Torres, JD Maréchal, L Rodríguez-Santiago, M Sodupe
Journal of the American Chemical Society 133 (38), 15008-15014, 2011
572011
Computational calculations of p K a values of imidazole in Cu (ii) complexes of biological relevance
J Alí-Torres, L Rodríguez-Santiago, M Sodupe
Physical Chemistry Chemical Physics 13 (17), 7852-7861, 2011
502011
Structures and Stabilities of Fe2+/3+ Complexes Relevant to Alzheimer’s Disease: An ab Initio Study
J Ali-Torres, L Rodriguez-Santiago, M Sodupe, A Rauk
The Journal of Physical Chemistry A 115 (45), 12523-12530, 2011
282011
3D Structures and Redox Potentials of Cu2+–Aβ(1–16) Complexes at Different pH: A Computational Study
J Alí-Torres, A Mirats, JD Maréchal, L Rodríguez-Santiago, M Sodupe
The Journal of Physical Chemistry B 118 (18), 4840-4850, 2014
272014
Ab initio design of chelating ligands relevant to Alzheimer’s disease: Influence of metalloaromaticity
A Rimola, J Alí-Torres, C Rodríguez-Rodríguez, J Poater, E Matito, M Sola, ...
The Journal of Physical Chemistry A 115 (45), 12659-12666, 2011
242011
3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents
MA Telpoukhovskaia, C Rodríguez-Rodríguez, JF Cawthray, LE Scott, ...
Metallomics 6 (2), 249-262, 2014
162014
In silico strategies for the selection of chelating compounds with potential application in metal-promoted neurodegenerative diseases
C Rodríguez-Rodríguez, A Rimola, J Alí-Torres, M Sodupe, ...
Journal of computer-aided molecular design 25 (1), 21-30, 2011
162011
Dioxygen activation in the Cu–amyloid β complex
A Mirats, J Alí-Torres, L Rodríguez-Santiago, M Sodupe, G La Penna
Physical Chemistry Chemical Physics 17 (41), 27270-27274, 2015
152015
Modeling Cu2+-Aβ complexes from computational approaches
J Alí-Torres, A Mirats, JD Maréchal, L Rodríguez-Santiago, M Sodupe
AIP advances 5 (9), 092402, 2015
142015
Coordination properties of a metal chelator clioquinol to Zn 2+ studied by static DFT and ab initio molecular dynamics
L Rodríguez-Santiago, J Alí-Torres, P Vidossich, M Sodupe
Physical Chemistry Chemical Physics 17 (20), 13582-13589, 2015
142015
Thioflavin-based molecular probes for application in Alzheimer's disease: from in silico to in vitro models
C Rodríguez-Rodríguez, MA Telpoukhovskaia, J Alí-Torres, ...
Metallomics 7 (1), 83-92, 2015
122015
Insights on the binding of Thioflavin derivative markers to amyloid-like fibril models from quantum chemical calculations
J Alí-Torres, A Rimola, C Rodriguez-Rodriguez, L Rodríguez-Santiago, ...
The Journal of Physical Chemistry B 117 (22), 6674-6680, 2013
122013
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 …
J Ali-Torres, JJ Dannenberg
The Journal of Physical Chemistry B 116 (48), 14017-14022, 2012
102012
Prediction of proton affinities of organic molecules using the any-particle molecular-orbital second-order proton propagator approach
L Pedraza-González, J Romero, J Alí-Torres, A Reyes
Physical Chemistry Chemical Physics 18 (39), 27185-27189, 2016
82016
Density Functional Theory Study of β-Hairpins in Antiparallel β-Sheets, a New Classification Based upon H-Bond Topology
D Roy, G Pohl, J Ali-Torres, M Marianski, JJ Dannenberg
Biochemistry 51 (27), 5387-5393, 2012
82012
Stability of transient Cu+Aβ (1–16) species and influence of coordination and peptide configuration on superoxide formation
A Mirats, J Ali-Torres, L Rodriguez-Santiago, M Sodupe
Theoretical Chemistry Accounts 135 (3), 75, 2016
62016
Capping Amyloid β-Sheets of the Tau-Amyloid Structure VQIVYK with Hexapeptides Designed To Arrest Growth. An ONIOM and Density Functional Theory Study
JA Plumley, J Ali-Torres, G Pohl, JJ Dannenberg
The Journal of Physical Chemistry B 118 (12), 3326-3334, 2014
52014
Fast and accurate prediction of proton affinities: revisiting the extended Koopmans' theorem for protons
L Pedraza-González, J Charry, W Quintero, J Alí-Torres, A Reyes
Physical Chemistry Chemical Physics 19 (37), 25324-25333, 2017
22017
The role of LasR active site amino acids in the interaction with the Acyl Homoserine Lactones (AHLs) analogues: A computational study
MA Monterrosa, JF Galindo, JV Lorduy, J Alí-Torres, R Vivas-Reyes
Journal of Molecular Graphics and Modelling 86, 113-124, 2019
12019
Nature of Color Diversity in Phenylenevinylene-Based Polymorphs
JC Cárdenas, LM Aguirre-Díaz, JF Galindo, J Alí-Torres, ...
Crystal Growth & Design 19 (7), 3913-3922, 2019
2019
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Articles 1–20