Álvaro Pérez-Barcia

According to our database, Álvaro Pérez-Barcia authored at least 4 papers between 2023 and 2026.

Collaborative distances:

• Dijkstra number of six.
• Erdős number of six.

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

2025

Permeation of Polychlorinated Biphenyls Through Lipid Membranes: Classical MD and QM/MM-EDA Analysis.

Nicolás Ramos-Berdullas, Álvaro Pérez-Barcia, Lorena Ruano

Proceedings of the Computational Science and Its Applications - ICCSA 2025 Workshops - Istanbul, Turkey, June 30, 2025

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