PypKa: A Flexible Python Module for Poisson-Boltzmann-Based pKa Calculations. - Pedro B. P. S. Reis; Diogo Vila-Viçosa; Walter Rocchia; Miguel Machuqueiro (J. Chem. Inf. Model., 2020)

pKPDB: a protein data bank extension database of pKa and pI theoretical values. - Pedro B. P. S. Reis; Djork-Arné Clevert; Miguel Machuqueiro (Bioinform., 2021)

Optimization of an in Silico Protocol Using Probe Permeabilities to Identify Membrane Pan-Assay Interference Compounds. - Pedro R. Magalhães; Pedro B. P. S. Reis; Diogo Vila-Viçosa; Miguel Machuqueiro; Bruno L. Victor (J. Chem. Inf. Model., 2022)

A new generation of user-friendly and machine learning-accelerated methods for protein pKa calculations - Pedro B. P. S. Reis (2022)

pKa Calculations of GPCRs: Understanding Protonation States in Receptor Activation. - Carlos A. V. Barreto; João N. M. Vitorino; Pedro B. P. S. Reis; Miguel Machuqueiro; Irina S. Moreira (J. Chem. Inf. Model., 2024)

One-class classification with confound control for cognitive screening in older adults using gait, fingertapping, cognitive, and dual tasks. - Vânia Guimarães; Inês Sousa; Raquel Cunha; Rosana Magalhães; Álvaro Machado; Vera Fernandes; Pedro B. P. S. Reis; Miguel Velhote Correia (Comput. Methods Programs Biomed., 2025)