| 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 | 78 | 2011 |
| 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 | 70 | 2011 |
| 3D Structures and Redox Potentials of Cu2+–Aβ(1–16) Complexes at Different pH: A Computational Study J Ali-Torres, A Mirats, JD Marechal, L Rodriguez-Santiago, M Sodupe The Journal of Physical Chemistry B 118 (18), 4840-4850, 2014 | 49 | 2014 |
| 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 | 43 | 2011 |
| Role of metal cations of copper, iron, and aluminum and multifunctional ligands in Alzheimer’s disease: Experimental and computational insights N Puentes-Díaz, D Chaparro, D Morales-Morales, A Flores-Gaspar, ... ACS omega 8 (5), 4508-4526, 2023 | 39 | 2023 |
| 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 Solà, ... The Journal of Physical Chemistry A 115 (45), 12659-12666, 2011 | 36 | 2011 |
| 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 | 33 | 2015 |
| Modeling Cu2+-Aβ complexes from computational approaches J Alí-Torres, A Mirats, JD Maréchal, L Rodríguez-Santiago, M Sodupe AIP advances 5 (9), 2015 | 26 | 2015 |
| 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 | 26 | 2015 |
| 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 | 26 | 2014 |
| Insights on the binding of Thioflavin derivative markers to amyloid-like fibril models from quantum chemical calculations J Ali-Torres, A Rimola, C Rodriguez-Rodriguez, L Rodriguez-Santiago, ... The Journal of Physical Chemistry B 117 (22), 6674-6680, 2013 | 24 | 2013 |
| Synthesis of Pt (II) complexes of the type [Pt (1, 10-phenanthroline)(SArFn) 2](SArFn= SC6H3-3, 4-F2; SC6F4-4-H; SC6F5). Preliminary evaluation of their in vitro anticancer … G Backman-Blanco, H Valdes, MT Ramírez-Apan, P Cano-Sanchez, ... Journal of Inorganic Biochemistry 211, 111206, 2020 | 23 | 2020 |
| 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, 21-30, 2011 | 23 | 2011 |
| 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 | 21 | 2019 |
| Coordination properties of a metal chelator clioquinol to Zn 2+ studied by static DFT and ab initio molecular dynamics L Rodriguez-Santiago, J Ali-Torres, P Vidossich, M Sodupe Physical Chemistry Chemical Physics 17 (20), 13582-13589, 2015 | 21 | 2015 |
| 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 | 15 | 2016 |
| Computational Evaluation of Interaction Between Curcumin Derivatives and Amyloid-β Monomers and Fibrils: Relevance to Alzheimer’s Disease A Orjuela, J Lakey-Beitia, R Mojica-Flores, ML Hegde, I Lans, J Alí-Torres, ... Journal of Alzheimer's Disease, 1-13, 2021 | 14 | 2021 |
| Assessment of the isodesmic method in the calculation of standard reduction potential of copper complexes D Chaparro, J Alí-Torres Journal of Molecular Modeling 23 (283), 1-8, 2017 | 13 | 2017 |
| 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 | 13 | 2012 |
| 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, 1-9, 2016 | 12 | 2016 |
Mariona SodupeUniversitat Autònoma BarcelonaEmail được xác minh tại uab.cat
