Juan J. Nogueira

Publication Activity (10 Years)

Years Active: 2021-2024
Publications (10 Years): 6

Top Topics

Alternative Approaches

Computational Model

Human Decision Making

Top Venues

J. Chem. Inf. Model.

ICCSA (Workshops 9)

J. Comput. Chem.

Publications

Nuria Anguita-Ortiz, Andrea Lombardi, Noelia Faginas Lago, Juan J. Nogueira
Insights into Ion Conduction Mechanisms Through the ORF3a Channel by Computational Modelling. ICCSA (Workshops 9) (2024)
Jesús Lucia-Tamudo, Sergio Díaz-Tendero, Juan J. Nogueira
Modeling One-Electron Oxidation Potentials and Hole Delocalization in Double-Stranded DNA by Multilayer and Dynamic Approaches. J. Chem. Inf. Model. 64 (12) (2024)
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
MoBioTools: A toolkit to setup quantum mechanics/molecular mechanics calculations. J. Comput. Chem. 44 (4) (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. J. Chem. Inf. Model. 63 (3) (2023)
Jesús Lucia-Tamudo, Gustavo Cárdenas, Nuria Anguita-Ortiz, Sergio Díaz-Tendero, Juan J. Nogueira
Computation of Oxidation Potentials of Solvated Nucleobases by Static and Dynamic Multilayer Approaches. J. Chem. Inf. Model. 62 (14) (2022)
P. Bernát Szabó, Francesc Sabanés Zariquiey, Juan J. Nogueira
Cosolvent and Dynamic Effects in Binding Pocket Search by Docking Simulations. J. Chem. Inf. Model. 61 (11) (2021)