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Theoretical and Computational Chemistry

Working Paper

Computation of Oxidation Potentials of Solvated Nucleobases by Static and Dynamic Multilayer Approaches

Jesús Lucia-Tamudo, Gustavo Cárdenas, Nuria Anguita-Ortiz, Sergio Díaz-Tendero, Juan J. Nogueira

Version 1 posted 12 January 2022

314

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Theoretical and Computational Chemistry

Working Paper

MoBioTools: A Toolkit to Setup QM/MM Calculations

Gustavo Cárdenas, Jesús Lucia-Tamudo, Henar Mateo-delaFuente, Vito F. Palmisano, Nuria Anguita-Ortiz, Lorena Ruano, Álvaro Pérez-Barcia, Sergio Díaz-Tendero, Marcos Mandado, Juan Jose Nogueira

Version 1 posted 11 May 2022

1,200

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2

Citations

Biological and Medicinal Chemistry

Working Paper

Fast Quantitative Validation of 3D Models of Low-Affinity Protein-Ligand Complexes by STD NMR Spectroscopy

Ridvan Nepravishta, Jonathan Ramírez-Cárdenas, Gabriel Rocha, Samuel Walpole, Thomas Hicks, Juan Carlos Muñoz-García, Jesus Angulo

Version 2 posted 11 July 2023

3,584

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Physical Chemistry

Working Paper

UNRAVELLING THE ELECTRICAL CONDUCTANCE OF INDIVIDUAL Z-FORM OLIGONUCLEOTIDES: A SINGLE-MOLECULE STUDY

Mauricio R Aguilar, Jesus Jover, Albert C Aragones, Juan Manuel Artés Vivancos, Eliseo Ruiz

Version 1 posted 09 October 2024

110

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Theoretical and Computational Chemistry

Working Paper

Charge Transfer Mechanism in Guanine-based Self-Assembled Monolayers on a Gold Surface

Jesús Lucia-Tamudo, Juan Jose Nogueira, Sergio Díaz-Tendero

Version 1 posted 16 November 2023

132

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Catalysis

Working Paper

Cu-releasing nanoparticles induce the catalytic transamination of amino acids and GSSG under tumor microenvironment conditions

Javier Bonet-Aleta, Juan V Alegre-Requena, Javier Martin-Martin, Miguel Encinas-Gimenez, Ana Martin-Pardillos, Pilar Martin-Duque, Jose L Hueso, Jesus Santamaria

Version 1 posted 03 July 2023

236

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Materials Chemistry

Working Paper

Diastereomeric Configuration Drives an On-Surface Specific Rearrangement into Low Bandgap Non-Benzenoid Graphene Nanoribbons.

Federico Villalobos, Jesús I. Mendieta-Moreno, Jorge Lobo-Checa, Sara P. Morcillo, José I. Martínez, José María Gómez-Fernández, Pedro L. de Andres, José A. Martin-Gago, Juan M. Cuerva, Araceli G. Campaña, Carlos Sánchez-Sánchez

Version 1 posted 17 July 2024

286

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Theoretical and Computational Chemistry

Working Paper

Effect of Weak Intermolecular Interactions on the Ionization of Benzene Derivatives Dimers

Jesús Lucia-Tamudo, Rubén López-Sánchez, Sergio Díaz-Tendero, Juan J. Nogueira

Version 1 posted 08 July 2024

84

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Theoretical and Computational Chemistry

Working Paper

Modelling One-Electron Oxidation Potentials and Hole Delocalization in Double-Stranded DNA by Multilayer and Dynamic Approaches

Jesús Lucia-Tamudo, Sergio Díaz-Tendero, Juan Jose Nogueira

Version 1 posted 29 March 2024

154

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Polymer Science

Working Paper

Spin Diffusion Transfer Difference (SDTD) NMR: An Advanced Method for the Characterisation of Water Structuration Within Particle Networks

Valeria Gabrielli, Agne Kuraite, Marcelo Alves da Silva, Karen J. Edler, Jesús Angulo, Ridvan Nepravishta, Juan C. Muñoz-García, Yaroslav Khimyak

Version 1 posted 07 August 2020

279

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Refine Search

19 results in Juan Jesus in Authors: Juan Jesus

Computation of Oxidation Potentials of Solvated Nucleobases by Static and Dynamic Multilayer Approaches

MoBioTools: A Toolkit to Setup QM/MM Calculations

Fast Quantitative Validation of 3D Models of Low-Affinity Protein-Ligand Complexes by STD NMR Spectroscopy

UNRAVELLING THE ELECTRICAL CONDUCTANCE OF INDIVIDUAL Z-FORM OLIGONUCLEOTIDES: A SINGLE-MOLECULE STUDY

Charge Transfer Mechanism in Guanine-based Self-Assembled Monolayers on a Gold Surface

Cu-releasing nanoparticles induce the catalytic transamination of amino acids and GSSG under tumor microenvironment conditions

Diastereomeric Configuration Drives an On-Surface Specific Rearrangement into Low Bandgap Non-Benzenoid Graphene Nanoribbons.

Effect of Weak Intermolecular Interactions on the Ionization of Benzene Derivatives Dimers

Modelling One-Electron Oxidation Potentials and Hole Delocalization in Double-Stranded DNA by Multilayer and Dynamic Approaches

Spin Diffusion Transfer Difference (SDTD) NMR: An Advanced Method for the Characterisation of Water Structuration Within Particle Networks

19 results in Authors: Juan Jesus