Computational 3D Models of Fe2+/3+-Aβ1–42 Complexes Associated with Alzheimer’s Disease
Puello-Silva, Jorge, Alí-Torres, Jorge
Published in The journal of physical chemistry. B (25.07.2024)
Published in The journal of physical chemistry. B (25.07.2024)
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Journal Article
Role of Metal Cations of Copper, Iron, and Aluminum and Multifunctional Ligands in Alzheimer’s Disease: Experimental and Computational Insights
Puentes-Díaz, Nicolás, Chaparro, Diego, Morales-Morales, David, Flores-Gaspar, Areli, Alí-Torres, Jorge
Published in ACS omega (07.02.2023)
Published in ACS omega (07.02.2023)
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Journal Article
Pincer Ligands as Multifunctional Agents for Alzheimer's Copper Dysregulation and Oxidative Stress: A Computational Evaluation
Puentes‐Díaz, Nicolás, Chaparro, Diego, Morales‐Morales, David, Alí‐Torres, Jorge, Flores‐Gaspar, Areli
Published in ChemPlusChem (Weinheim, Germany) (01.12.2023)
Published in ChemPlusChem (Weinheim, Germany) (01.12.2023)
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Journal Article
Insights on the Binding of Thioflavin Derivative Markers to Amyloid-Like Fibril Models from Quantum Chemical Calculations
Alí-Torres, Jorge, Rimola, Albert, Rodríguez-Rodríguez, Cristina, Rodríguez-Santiago, Luis, Sodupe, Mariona
Published in The journal of physical chemistry. B (06.06.2013)
Published in The journal of physical chemistry. B (06.06.2013)
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Journal Article
Structures and Stabilities of Fe2+/3+ Complexes Relevant to Alzheimer’s Disease: An ab Initio Study
Alí-Torres, Jorge, Rodríguez-Santiago, Luis, Sodupe, Mariona, Rauk, Arvi
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (17.11.2011)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (17.11.2011)
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Journal Article
Ab Initio Design of Chelating Ligands Relevant to Alzheimer’s Disease: Influence of Metalloaromaticity
Rimola, Albert, Alí-Torres, Jorge, Rodríguez-Rodríguez, Cristina, Poater, Jordi, Matito, Eduard, Solà, Miquel, Sodupe, Mariona
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (17.11.2011)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (17.11.2011)
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Journal Article
Computational Evaluation of the Potential Pharmacological Activity of Salen-Type Ligands in Alzheimer's Disease
Puentes-Díaz, Nicolás, Chaparro, Diego, Reyes-Marquez, Viviana, Morales-Morales, David, Flores-Gaspar, Areli, Alí-Torres, Jorge
Published in Journal of Alzheimer's disease (01.01.2024)
Published in Journal of Alzheimer's disease (01.01.2024)
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Journal Article
Computational calculations of pKa values of imidazole in Cu(II) complexes of biological relevance
ALI-TORRES, Jorge, RODRIGUEZ-SANTIAGO, Luis, SODUPE, Mariona
Published in PCCP. Physical chemistry chemical physics (Print) (07.05.2011)
Published in PCCP. Physical chemistry chemical physics (Print) (07.05.2011)
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Conference Proceeding
Journal Article
Dioxygen activation in the Cu-amyloid β complex
Mirats, Andrea, Alí-Torres, Jorge, Rodríguez-Santiago, Luis, Sodupe, Mariona, La Penna, Giovanni
Published in Physical chemistry chemical physics : PCCP (07.11.2015)
Published in Physical chemistry chemical physics : PCCP (07.11.2015)
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Journal Article
Computational Evaluation of Interaction Between Curcumin Derivatives and Amyloid-β Monomers and Fibrils: Relevance to Alzheimer's Disease
Orjuela, Adrian, Lakey-Beitia, Johant, Mojica-Flores, Randy, Hegde, Muralidhar L, Lans, Isaias, Alí-Torres, Jorge, Rao, K S
Published in Journal of Alzheimer's disease (01.01.2021)
Published in Journal of Alzheimer's disease (01.01.2021)
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Journal Article
The role of LasR active site amino acids in the interaction with the Acyl Homoserine Lactones (AHLs) analogues: A computational study
Ahumedo Monterrosa, Maicol, Galindo, Johan Fabian, Vergara Lorduy, Javier, Alí-Torres, Jorge, Vivas-Reyes, Ricardo
Published in Journal of molecular graphics & modelling (01.01.2019)
Published in Journal of molecular graphics & modelling (01.01.2019)
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Journal Article
Prediction of proton affinities of organic molecules using the any-particle molecular-orbital second-order proton propagator approach
Pedraza-González, Laura, Romero, Jonathan, Alí-Torres, Jorge, Reyes, Andrés
Published in Physical chemistry chemical physics : PCCP (2016)
Published in Physical chemistry chemical physics : PCCP (2016)
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Journal Article
Synthesis of Para‐Acetylated Functionalized Ni(II)‐POCOP Pincer Complexes and Their Cytotoxicity Evaluation Against Human Cancer Cell Lines
Sánchez‐Mora, Arturo, Briñez, Edwin, Pico, Alejandro, González‐Sebastián, Lucero, Antonio Cruz‐Navarrro, J., Arenaza‐Corona, Antonino, Puentes‐Díaz, Nicolás, Alí‐Torres, Jorge, Reyes‐Márquez, Viviana, Morales‐Morales, David
Published in Chemistry & biodiversity (01.09.2024)
Published in Chemistry & biodiversity (01.09.2024)
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Journal Article
Exploring the Non-Covalent Bonding in Water Clusters
Seijas, Luis E, Zambrano, Cesar H, Almeida, Rafael, Alí-Torres, Jorge, Rincón, Luis, Torres, Fernando Javier
Published in International journal of molecular sciences (09.03.2023)
Published in International journal of molecular sciences (09.03.2023)
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Journal Article