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Journal of Molecular Modeling
|
September 23, 2017
Assessment of the isodesmic method in the calculation of standard reduction potential of copper complexes
Diego Chaparro, Jorge Alí-Torres
The Journal of Physical Chemistry. B
|
July 17, 2024
Computational 3D Models of Fe<sup>2+/3+</sup>-Aβ<sub>1-42</sub> Complexes Associated with Alzheimer's Disease
Jorge Puello-Silva, Jorge Alí-Torres
Journal of Alzheimer'S Disease : JAD
|
May 25, 2021
Computational Design of Copper Ligands with Controlled Metal Chelating, Pharmacokinetics, and Redox Properties for Alzheimer's Disease
Diego Chaparro, Areli Flores-Gaspar, Jorge Alí-Torres
RSC Advances
|
January 25, 2024
The role of non-covalent interactions in 4-hydroxybenzylamine macrocyclisation: computational and synthetic evidence
Andrés Gonzalez-Oñate, Jorge Alí-Torres, Rodolfo Quevedo
Physical Chemistry Chemical Physics : PCCP
|
March 30, 2011
Computational calculations of pKa values of imidazole in Cu(II) complexes of biological relevance
Jorge Alí-Torres, Luis Rodríguez-Santiago, Mariona Sodupe
RSC Advances
|
October 6, 2022
A computational protocol for the calculation of the standard reduction potential of iron complexes: application to Fe<sup>2+/3+</sup>-Aβ model systems relevant to Alzheimer's disease
Adrián L Orjuela, Francisco Núñez-Zarur, Jorge Alí-Torres
Physical Chemistry Chemical Physics : PCCP
|
May 6, 2015
Coordination properties of a metal chelator clioquinol to Zn(2+) studied by static DFT and ab initio molecular dynamics
Luis Rodríguez-Santiago, Jorge Alí-Torres, Pietro Vidossich, et al.
The Journal of Physical Chemistry. A
|
June 18, 2011
Structures and stabilities of Fe2+/3+ complexes relevant to Alzheimer's disease: an ab initio study
Jorge Alí-Torres, Luis Rodríguez-Santiago, Mariona Sodupe, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 7, 2016
Prediction of proton affinities of organic molecules using the any-particle molecular-orbital second-order proton propagator approach
Laura Pedraza-González, Jonathan Romero, Jorge Alí-Torres, et al.
Journal of Chemical Information and Modeling
|
February 27, 2026
Ligand Versatility and Resistance Mechanism of Monotherapy-Grade HIV-1 Protease Inhibitor GRL-142 Binding the Multidrug Resistant Variant p51: Insights from 1 μs MD Simulations
Alejandro Arias, Chiara Cappelli, Albeiro Restrepo, et al.
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Search research articles
Search
Showing results (1-10 of 38) with videos related to
Sort By:
Page
of 4
Journal of Molecular Modeling
|
September 23, 2017
Assessment of the isodesmic method in the calculation of standard reduction potential of copper complexes
Diego Chaparro, Jorge Alí-Torres
The Journal of Physical Chemistry. B
|
July 17, 2024
Computational 3D Models of Fe<sup>2+/3+</sup>-Aβ<sub>1-42</sub> Complexes Associated with Alzheimer's Disease
Jorge Puello-Silva, Jorge Alí-Torres
Journal of Alzheimer'S Disease : JAD
|
May 25, 2021
Computational Design of Copper Ligands with Controlled Metal Chelating, Pharmacokinetics, and Redox Properties for Alzheimer's Disease
Diego Chaparro, Areli Flores-Gaspar, Jorge Alí-Torres
RSC Advances
|
January 25, 2024
The role of non-covalent interactions in 4-hydroxybenzylamine macrocyclisation: computational and synthetic evidence
Andrés Gonzalez-Oñate, Jorge Alí-Torres, Rodolfo Quevedo
Physical Chemistry Chemical Physics : PCCP
|
March 30, 2011
Computational calculations of pKa values of imidazole in Cu(II) complexes of biological relevance
Jorge Alí-Torres, Luis Rodríguez-Santiago, Mariona Sodupe
RSC Advances
|
October 6, 2022
A computational protocol for the calculation of the standard reduction potential of iron complexes: application to Fe<sup>2+/3+</sup>-Aβ model systems relevant to Alzheimer's disease
Adrián L Orjuela, Francisco Núñez-Zarur, Jorge Alí-Torres
Physical Chemistry Chemical Physics : PCCP
|
May 6, 2015
Coordination properties of a metal chelator clioquinol to Zn(2+) studied by static DFT and ab initio molecular dynamics
Luis Rodríguez-Santiago, Jorge Alí-Torres, Pietro Vidossich, et al.
The Journal of Physical Chemistry. A
|
June 18, 2011
Structures and stabilities of Fe2+/3+ complexes relevant to Alzheimer's disease: an ab initio study
Jorge Alí-Torres, Luis Rodríguez-Santiago, Mariona Sodupe, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 7, 2016
Prediction of proton affinities of organic molecules using the any-particle molecular-orbital second-order proton propagator approach
Laura Pedraza-González, Jonathan Romero, Jorge Alí-Torres, et al.
Journal of Chemical Information and Modeling
|
February 27, 2026
Ligand Versatility and Resistance Mechanism of Monotherapy-Grade HIV-1 Protease Inhibitor GRL-142 Binding the Multidrug Resistant Variant p51: Insights from 1 μs MD Simulations
Alejandro Arias, Chiara Cappelli, Albeiro Restrepo, et al.
Page
of 4