Pedro B P S Reis

Publication Activity (10 Years)

Years Active: 2022-2024
Publications (10 Years): 6

Top Topics

Molecular Dynamics Simulations

Protein Protein

Top Venues

Nucleic acids research

Journal of chemical information and modeling

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

Pedro B P S Reis, Djork-Arné Clevert, Miguel Machuqueiro
PypKa server: online pKa predictions and biomolecular structure preparation with precomputed data from PDB and AlphaFold DB. Nucleic acids research 52 (W1) (2024)
Pedro B P S Reis, Djork-Arné Clevert, Miguel Machuqueiro
PypKa server: online pKa predictions and biomolecular structure preparation with precomputed data from PDB and AlphaFold DB. Nucleic acids research (2024)
Pedro B P S Reis, Djork-Arné Clevert, Miguel Machuqueiro
PypKa server: online pKa predictions and biomolecular structure preparation with precomputed data from PDB and AlphaFold DB. Nucleic acids research 52 (W1) (2024)
Carlos A V Barreto, João N M Vitorino, Pedro B P S Reis, Miguel Machuqueiro, Irina S Moreira
p K a Calculations of GPCRs: Understanding Protonation States in Receptor Activation. Journal of chemical information and modeling (2024)
Pedro B P S Reis, Marco Bertolini, Floriane Montanari, Walter Rocchia, Miguel Machuqueiro, Djork-Arné Clevert
A Fast and Interpretable Deep Learning Approach for Accurate Electrostatics-Driven p K a Predictions in Proteins. Journal of chemical theory and computation 18 (8) (2022)
Pedro R Magalhães, Pedro B P S Reis, Diogo Vila-Viçosa, Miguel Machuqueiro, Bruno Lourenço Victor
Optimization of an in Silico Protocol Using Probe Permeabilities to Identify Membrane Pan-Assay Interference Compounds. Journal of chemical information and modeling 62 (12) (2022)