Juan J Nogueira

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 53

Top Topics

Gold Nanoparticles

Molecular Dynamics

Drug Administration

Circulating Tumor

Top Venues

Journal of chemical information and modeling

Physical chemistry chemical physics : PCCP

The journal of physical chemistry. B

Langmuir : the ACS journal of surfaces and colloids

This page only lists publications with an associated author ORCID identifier.

Publications

Jesús Lucia-Tamudo, Juan J Nogueira, Sergio Diaz-Tendero
Charge Transfer Mechanism in Guanine-Based Self-Assembled Monolayers on a Gold Surface. Langmuir : the ACS journal of surfaces and colloids 40 (29) (2024)
Jesús Lucia-Tamudo, Juan J Nogueira, Sergio Diaz-Tendero
Charge Transfer Mechanism in Guanine-Based Self-Assembled Monolayers on a Gold Surface. Langmuir : the ACS journal of surfaces and colloids 40 (29) (2024)
Vito F Palmisano, Claudio Agnorelli, Andrea Fagiolini, David Erritzoe, David Nutt, Shirin Faraji, Juan J Nogueira
Membrane Permeation of Psychedelic Tryptamines by Dynamic Simulations. Biochemistry (2024)
Vito F Palmisano, Nuria Anguita-Ortiz, Shirin Faraji, Juan J Nogueira
Voltage-Gated Ion Channels: Structure, Pharmacology and Photopharmacology. Chemphyschem : a European journal of chemical physics and physical chemistry 25 (16) (2024)
Jesús Lucia-Tamudo, Sergio Diaz-Tendero, Juan J Nogueira
Modeling One-Electron Oxidation Potentials and Hole Delocalization in Double-Stranded DNA by Multilayer and Dynamic Approaches. Journal of chemical information and modeling (2024)
Vito F Palmisano, Nuria Anguita-Ortiz, Shirin Faraji, Juan J Nogueira
Voltage-Gated Ion Channels: Structure, Pharmacology and Photopharmacology. Chemphyschem : a European journal of chemical physics and physical chemistry (2024)
Marta Dudek, Lucía López-Pacios, Nasim Sabouri, Juan J Nogueira, Lara Martínez Fernández, Marco Deiana
Harnessing Light for G-Quadruplex Modulation: Dual Isomeric Effects of an Ortho -Fluoroazobenzene Derivative. The journal of physical chemistry letters (2024)
Vito F Palmisano, Claudio Agnorelli, Andrea Fagiolini, David Erritzoe, David Nutt, Shirin Faraji, Juan J Nogueira
Membrane Permeation of Psychedelic Tryptamines by Dynamic Simulations. Biochemistry (2024)
Jesús Lucia-Tamudo, Sergio Diaz-Tendero, Juan J Nogueira
Modeling One-Electron Oxidation Potentials and Hole Delocalization in Double-Stranded DNA by Multilayer and Dynamic Approaches. Journal of chemical information and modeling 64 (12) (2024)
Jesús Lucia-Tamudo, Sergio Diaz-Tendero, Juan J Nogueira
Modeling One-Electron Oxidation Potentials and Hole Delocalization in Double-Stranded DNA by Multilayer and Dynamic Approaches. Journal of chemical information and modeling 64 (12) (2024)
Jesús Lucia-Tamudo, Juan J Nogueira, Sergio Diaz-Tendero
Charge Transfer Mechanism in Guanine-Based Self-Assembled Monolayers on a Gold Surface. Langmuir : the ACS journal of surfaces and colloids 40 (29) (2024)
Jesús Lucia-Tamudo, Sergio Diaz-Tendero, Juan J Nogueira
Modeling One-Electron Oxidation Potentials and Hole Delocalization in Double-Stranded DNA by Multilayer and Dynamic Approaches. Journal of chemical information and modeling 64 (12) (2024)
Jesús Lucia-Tamudo, Juan J Nogueira, Sergio Diaz-Tendero
Charge Transfer Mechanism in Guanine-Based Self-Assembled Monolayers on a Gold Surface. Langmuir : the ACS journal of surfaces and colloids (2024)
Jesús Lucia-Tamudo, Juan J Nogueira, Sergio Diaz-Tendero
An Efficient Multilayer Approach to Model DNA-Based Nanobiosensors. The journal of physical chemistry. B (2023)
Jesús Lucia-Tamudo, Manuel Alcamí, Sergio Diaz-Tendero, Juan J Nogueira
One-Electron Oxidation Potentials and Hole Delocalization in Heterogeneous Single-Stranded DNA. Biochemistry (2023)
Vito F Palmisano, Shirin Faraji, Juan J Nogueira
Effect of stacking interactions on charge transfer states in photoswitches interacting with ion channels. Physical chemistry chemical physics : PCCP 25 (12) (2023)
Álvaro Pérez-Barcia, Gustavo Cárdenas, Juan J Nogueira, Marcos Mandado
Effect of the QM Size, Basis Set, and Polarization on QM/MM Interaction Energy Decomposition Analysis. Journal of chemical information and modeling 63 (3) (2023)
Jesús Lucia-Tamudo, Juan J Nogueira, Sergio Diaz-Tendero
An Efficient Multilayer Approach to Model DNA-Based Nanobiosensors. The journal of physical chemistry. B 127 (7) (2023)
Jesús Lucia-Tamudo, Juan J Nogueira, Sergio Diaz-Tendero
An Efficient Multilayer Approach to Model DNA-Based Nanobiosensors. The journal of physical chemistry. B 127 (7) (2023)
Vito F Palmisano, Shirin Faraji, Juan J Nogueira
Effect of stacking interactions on charge transfer states in photoswitches interacting with ion channels. Physical chemistry chemical physics : PCCP (2023)
Henar Mateo-delaFuente, Davide Avagliano, Marco Garavelli, Juan J Nogueira
The protein environment restricts the intramolecular charge transfer character of the luciferine/luciferase complex. Physical chemistry chemical physics : PCCP (2023)
Álvaro Pérez-Barcia, Gustavo Cárdenas, Juan J Nogueira, Marcos Mandado
Effect of the QM Size, Basis Set, and Polarization on QM/MM Interaction Energy Decomposition Analysis. Journal of chemical information and modeling 63 (3) (2023)
Vito F Palmisano, Shirin Faraji, Juan J Nogueira
Effect of stacking interactions on charge transfer states in photoswitches interacting with ion channels. Physical chemistry chemical physics : PCCP 25 (12) (2023)
Jesús Lucia-Tamudo, Sergio Diaz-Tendero, Juan J Nogueira
Intramolecular and intermolecular hole delocalization rules the reducer character of isolated nucleobases and homogeneous single-stranded DNA. Physical chemistry chemical physics : PCCP (2023)
Jesús Lucia-Tamudo, Juan J Nogueira, Sergio Diaz-Tendero
An Efficient Multilayer Approach to Model DNA-Based Nanobiosensors. The journal of physical chemistry. B 127 (7) (2023)
Álvaro Pérez-Barcia, Gustavo Cárdenas, Juan J Nogueira, Marcos Mandado
Effect of the QM Size, Basis Set, and Polarization on QM/MM Interaction Energy Decomposition Analysis. Journal of chemical information and modeling 63 (3) (2023)
Álvaro Pérez-Barcia, Gustavo Cárdenas, Juan J Nogueira, Marcos Mandado
Effect of the QM Size, Basis Set, and Polarization on QM/MM Interaction Energy Decomposition Analysis. Journal of chemical information and modeling 63 (3) (2023)
Álvaro Pérez-Barcia, Gustavo Cárdenas, Juan J Nogueira, Marcos Mandado
Effect of the QM Size, Basis Set, and Polarization on QM/MM Interaction Energy Decomposition Analysis. Journal of chemical information and modeling (2023)
Jesús Lucia-Tamudo, Sergio Diaz-Tendero, Juan J Nogueira
Intramolecular and intermolecular hole delocalization rules the reducer character of isolated nucleobases and homogeneous single-stranded DNA. Physical chemistry chemical physics : PCCP (2023)
Jesús Lucia-Tamudo, Juan J Nogueira, Sergio Diaz-Tendero
An Efficient Multilayer Approach to Model DNA-Based Nanobiosensors. The journal of physical chemistry. B 127 (7) (2023)
Jesús Lucia-Tamudo, Juan J Nogueira, Sergio Diaz-Tendero
An Efficient Multilayer Approach to Model DNA-Based Nanobiosensors. The journal of physical chemistry. B 127 (7) (2023)
Raúl Alvarado, Gustavo Cárdenas, Juan J Nogueira, Nicolás Ramos-Berdullas, Marcos Mandado
On the Permeation of Polychlorinated Dibenzodioxins and Dibenzofurans through Lipid Membranes: Classical MD and Hybrid QM/MM-EDA Analysis. Membranes 13 (1) (2022)
Raúl Alvarado, Gustavo Cárdenas, Juan J Nogueira, Nicolás Ramos-Berdullas, Marcos Mandado
On the Permeation of Polychlorinated Dibenzodioxins and Dibenzofurans through Lipid Membranes: Classical MD and Hybrid QM/MM-EDA Analysis. Membranes 13 (1) (2022)
Gustavo Cárdenas, Jesús Lucia-Tamudo, Henar Mateo-delaFuente, Vito F Palmisano, Nuria Anguita-Ortiz, Lorena Ruano, Álvaro Pérez-Barcia, Sergio Diaz-Tendero, Marcos Mandado, Juan J Nogueira
MoBioTools: A toolkit to setup quantum mechanics/molecular mechanics calculations. Journal of computational chemistry 44 (4) (2022)
Jesús Lucia-Tamudo, Gustavo Cárdenas, Nuria Anguita-Ortiz, Sergio Diaz-Tendero, Juan J Nogueira
Computation of Oxidation Potentials of Solvated Nucleobases by Static and Dynamic Multilayer Approaches. Journal of chemical information and modeling 62 (14) (2022)
Raúl Alvarado, Gustavo Cárdenas, Juan J Nogueira, Nicolás Ramos-Berdullas, Marcos Mandado
On the Permeation of Polychlorinated Dibenzodioxins and Dibenzofurans through Lipid Membranes: Classical MD and Hybrid QM/MM-EDA Analysis. Membranes 13 (1) (2022)
Gustavo Cárdenas, Jesús Lucia-Tamudo, Henar Mateo-delaFuente, Vito F Palmisano, Nuria Anguita-Ortiz, Lorena Ruano, Álvaro Pérez-Barcia, Sergio Diaz-Tendero, Marcos Mandado, Juan J Nogueira
MoBioTools: A toolkit to setup quantum mechanics/molecular mechanics calculations. Journal of computational chemistry 44 (4) (2022)
Gustavo Cárdenas, Jesús Lucia-Tamudo, Henar Mateo-delaFuente, Vito F Palmisano, Nuria Anguita-Ortiz, Lorena Ruano, Álvaro Pérez-Barcia, Sergio Diaz-Tendero, Marcos Mandado, Juan J Nogueira
MoBioTools: A toolkit to setup quantum mechanics/molecular mechanics calculations. Journal of computational chemistry (2022)
Raúl Alvarado, Gustavo Cárdenas, Juan J Nogueira, Nicolás Ramos-Berdullas, Marcos Mandado
On the Permeation of Polychlorinated Dibenzodioxins and Dibenzofurans through Lipid Membranes: Classical MD and Hybrid QM/MM-EDA Analysis. Membranes 13 (1) (2022)
Gustavo Cárdenas, Ivan Trentin, Ludwig Schwiedrzik, David Hernández-Castillo, Grace A Lowe, Julian Kund, Christine Kranz, Sarah Klingler, Robert Stach, Boris Mizaikoff, Philipp Marquetand, Juan J Nogueira, Carsten Streb, Leticia González
Activation by oxidation and ligand exchange in a molecular manganese vanadium oxide water oxidation catalyst. Chemical science 12 (39) (2021)
Lorena Ruano, Gustavo Cárdenas, Juan J Nogueira
The Permeation Mechanism of Cisplatin Through a Dioleoylphosphocholine Bilayer*. Chemphyschem : a European journal of chemical physics and physical chemistry 22 (12) (2021)
Gustavo Cardenas, Álvaro Pérez-Barcia, Marcos Mandado, Juan J Nogueira
Characterization of cisplatin/membrane interactions by QM/MM energy decomposition analysis. Physical chemistry chemical physics : PCCP 23 (36) (2021)
P Bernát Szabó, Francesc Sabanés Zariquiey, Juan J Nogueira
Cosolvent and Dynamic Effects in Binding Pocket Search by Docking Simulations. Journal of chemical information and modeling 61 (11) (2021)
Gustavo Cárdenas, Juan J Nogueira
Stacking Effects on Anthraquinone/DNA Charge-Transfer Electronically Excited States. Molecules (Basel, Switzerland) 25 (24) (2020)
Maria S Legina, Juan J Nogueira, Wolfgang Kandioller, Michael A Jakupec, Leticia González, Bernhard K Keppler
Biological evaluation of novel thiomaltol-based organometallic complexes as topoisomerase IIα inhibitors. Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry 25 (3) (2020)
Pedro A Sánchez-Murcia, Juan J Nogueira, Felix Plasser, Leticia González
Orbital-free photophysical descriptors to predict directional excitations in metal-based photosensitizers. Chemical science 11 (29) (2020)
Lea M Ibele, Pedro A Sánchez-Murcia, Sebastian Mai, Juan J Nogueira, Leticia González
Excimer Intermediates en Route to Long-Lived Charge-Transfer States in Single-Stranded Adenine DNA as Revealed by Nonadiabatic Dynamics. The journal of physical chemistry letters 11 (18) (2020)
J Patrick Zobel, Moritz Heindl, Juan J Nogueira, Leticia González
Vibrational Sampling and Solvent Effects on the Electronic Structure of the Absorption Spectrum of 2-Nitronaphthalene. Journal of chemical theory and computation 14 (6) (2018)
Martina De Vetta, Maximilian F S J Menger, Juan J Nogueira, Leticia González
Solvent Effects on Electronically Excited States: QM/Continuum Versus QM/Explicit Models. The journal of physical chemistry. B 122 (11) (2018)
Pedro A Sánchez-Murcia, Juan J Nogueira, Leticia González
Exciton Localization on Ru-Based Photosensitizers Induced by Binding to Lipid Membranes. The journal of physical chemistry letters 9 (4) (2018)
Martina De Vetta, Leticia González, Juan J Nogueira
Hydrogen Bonding Regulates the Rigidity of Liposome-Encapsulated Chlorin Photosensitizers. ChemistryOpen 7 (6) (2018)
Juan J Nogueira, Sven Roßbach, Christian Ochsenfeld, Leticia González
Effect of DNA Environment on Electronically Excited States of Methylene Blue Evaluated by a Three-Layered QM/QM/MM ONIOM Scheme. Journal of chemical theory and computation 14 (8) (2018)
Juan J Nogueira, Felix Plasser, Leticia González
Electronic delocalization, charge transfer and hypochromism in the UV absorption spectrum of polyadenine unravelled by multiscale computations and quantitative wavefunction analysis. Chemical science 8 (8) (2017)