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15 results in Authors: Juan Jose Nogueira

Theoretical and Computational Chemistry

Working Paper

The Protein Environment Restricts the Intramolecular Charge Transfer Character of the Luciferine/Luciferase Complex

Henar Mateo-delaFuente, Davide Avagliano, Marco Garavelli, Juan Jose Nogueira

Version 1 posted 28 March 2023

186

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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

178

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Theoretical and Computational Chemistry

Working Paper

An Efficient Multilayer Approach to Model DNA-Based Nano-Biosensors

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

Version 1 posted 22 September 2022

167

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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

158

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Theoretical and Computational Chemistry

Working Paper

An Algorithm to Correct for the CASSCF Active Space in Multiscale QM/MM Calculations Based on Geometry Ensembles

Gustavo Cárdenas, Juan Jose Nogueira

Version 1 posted 04 September 2020

735

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Theoretical and Computational Chemistry

Working Paper

The Permeation Mechanism of Cisplatin through a Dioleoylphosphocholine Bilayer

Lorena Ruano, Gustavo Cárdenas, Juan Jose Nogueira

Version 2 posted 19 February 2021

578

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Theoretical and Computational Chemistry

Working Paper

Binding of Azobenzene and p-Diaminoazobenzene to the Human Voltage-Gated Sodium Channel NaV1.4

Vito F. Palmisano, Carlos Gómez-Rodellar, Hannah Pollak, Gustavo Cárdenas, Ben Corry, Shirin Faraji, Juan Jose Nogueira

Version 1 posted 02 December 2020

495

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Biological and Medicinal Chemistry

Review

Light-Induced Control of Voltage Gated Ion Channels

Vito F. Palmisano, Nuria Anguita-Ortiz, Shirin Faraji, Juan Jose Nogueira

Version 1 posted 07 April 2022

576

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Theoretical and Computational Chemistry

Working Paper

One-Electron Oxidation Potentials and Hole Delocalization in Heterogeneous Single-Stranded DNA

Jesús Lucia-Tamudo, Manuel Alcamí, Sergio Díaz-Tendero, Juan José Nogueira

Version 1 posted 20 June 2023

141

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Theoretical and Computational Chemistry

Working Paper

Cosolvent and Dynamic Effects in Binding Pocket Search by Docking Simulations

P. Bernát Szabó, Francesc Sabanés Zariquiey, Juan José Nogueira

Version 1 posted 30 July 2021

304

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15 results in Juan Jose Nogueira in Authors: Juan Jose Nogueira

The Protein Environment Restricts the Intramolecular Charge Transfer Character of the Luciferine/Luciferase Complex

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

An Efficient Multilayer Approach to Model DNA-Based Nano-Biosensors

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

An Algorithm to Correct for the CASSCF Active Space in Multiscale QM/MM Calculations Based on Geometry Ensembles

The Permeation Mechanism of Cisplatin through a Dioleoylphosphocholine Bilayer

Binding of Azobenzene and p-Diaminoazobenzene to the Human Voltage-Gated Sodium Channel NaV1.4

Light-Induced Control of Voltage Gated Ion Channels

One-Electron Oxidation Potentials and Hole Delocalization in Heterogeneous Single-Stranded DNA

Cosolvent and Dynamic Effects in Binding Pocket Search by Docking Simulations

15 results in Authors: Juan Jose Nogueira