Pedro B P S Reis

6PUBLICATIONS
8CO-AUTHORS
Molecular imaging (incl. electron microscopy and neutron diffraction)Photonics, optoelectronics and optical communicationsStatistical mechanics in chemistryProteomics and metabolomicsCheminformatics and quantitative structure-activity relationships
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Publications (6)

|Apr 13, 2026
Improving the Estimation of pKa Values for All Titratable Amino Acids at the Water/Membrane Interface.

Nuno F B Oliveira, Pedro B P S Reis, Miguel Machuqueiro

|Aug 16, 2024
pKa Calculations of GPCRs: Understanding Protonation States in Receptor Activation.

Carlos A V Barreto, João N M Vitorino, Pedro B P S Reis

|Apr 15, 2024
PypKa server: online pKa predictions and biomolecular structure preparation with precomputed data from PDB and AlphaFold DB.

Pedro B P S Reis, Djork-Arné Clevert, Miguel Machuqueiro

|Jul 15, 2022
A Fast and Interpretable Deep Learning Approach for Accurate Electrostatics-Driven pKa Predictions in Proteins.

Pedro B P S Reis, Marco Bertolini, Floriane Montanari

|Jun 13, 2022
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

|Jul 14, 2021
pKPDB: a protein data bank extension database of pKa and pI theoretical values.

Pedro B P S Reis, Djork-Arné Clevert, Miguel Machuqueiro

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Frequent Collaborators

6 joint publications

Miguel Machuqueiro

1 joint publications

Bruno L Victor

1 joint publications

Floriane Montanari

1 joint publications

Walter Rocchia