Juan J. Nogueira

According to our database, Juan J. Nogueira authored at least 7 papers between 2021 and 2026.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2026

Unravelling the Role Played by Non-covalent Interactions in the Action Mechanism of PCDDs within Cells.

Lorena Ruano, Álvaro Pérez-Barcia, Vito F. Palmisano, Juan J. Nogueira, Marcos Mandado, Nicolás Ramos-Berdullas

J. Chem. Inf. Model., 2026

2024

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

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

J. Chem. Inf. Model., 2024

Insights into Ion Conduction Mechanisms Through the ORF3a Channel by Computational Modelling.

Nuria Anguita-Ortiz, Andrea Lombardi, Noelia Faginas Lago, Juan J. Nogueira

Proceedings of the Computational Science and Its Applications - ICCSA 2024 Workshops, 2024

2023

Effect of the QM Size, Basis Set, and Polarization on QM/MM Interaction Energy Decomposition Analysis.

Álvaro Pérez-Barcia, Gustavo Cárdenas, Juan J. Nogueira, Marcos Mandado

J. Chem. Inf. Model., February, 2023

MoBioTools: A toolkit to setup quantum mechanics/molecular mechanics 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 J. Nogueira

J. Comput. Chem., February, 2023

2022

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

J. Chem. Inf. Model., 2022

2021

Cosolvent and Dynamic Effects in Binding Pocket Search by Docking Simulations.

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

J. Chem. Inf. Model., 2021