Pedro Reis

Senior Researcher

Publications

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- 25 Years of Cardiac Ion Channel QSAR: From hERG Dominance to Multi-Channel Modelling
  
  Mateusz Iwan, Francesca Grisoni, Pedro BPS Reis, Anastasia Pentina, Marina Garcia de Lomana, Alessandra Roncaglioni
  
  July 2026
  
  ChemRxiv | July 2026
  
  Preprint
- Improving the Estimation of p K a Values for All Titratable Amino Acids at the Water/Membrane Interface
  
  N. Oliveira, Pedro BPS Reis, M. Machuqueiro
  
  The Journal of Physical Chemistry B | April 2026
  
  DOI
- Toward Accurate pH-Dependent Binding Constant Predictions Using Molecular Docking and Constant-pH MD Calculations.
  
  M. Yousef, Nuno F B Oliveira, João N. M. Vitorino, Pedro BPS Reis, Piotr Drączkowski, M. Maj, K. Jóźwiak, M. Machuqueiro
  
  Journal of chemical theory and computation | February 2025
  
  DOI Publication

- 25 Years of Cardiac Ion Channel QSAR: From hERG Dominance to Multi-Channel Modelling
  
  Mateusz Iwan, Francesca Grisoni, Pedro BPS Reis, Anastasia Pentina, Marina Garcia de Lomana, Alessandra Roncaglioni
  
  July 2026
  
  ChemRxiv | July 2026
  
  Preprint
- Improving the Estimation of p K a Values for All Titratable Amino Acids at the Water/Membrane Interface
  
  N. Oliveira, Pedro BPS Reis, M. Machuqueiro
  
  The Journal of Physical Chemistry B | April 2026
  
  DOI
- Toward Accurate pH-Dependent Binding Constant Predictions Using Molecular Docking and Constant-pH MD Calculations.
  
  M. Yousef, Nuno F B Oliveira, João N. M. Vitorino, Pedro BPS Reis, Piotr Drączkowski, M. Maj, K. Jóźwiak, M. Machuqueiro
  
  Journal of chemical theory and computation | February 2025
  
  DOI Publication
- Improving the Estimation of p K a Values for All Titratable Amino Acids at the Water/Membrane Interface
  
  N. Oliveira, Pedro BPS Reis, M. Machuqueiro
  
  The Journal of Physical Chemistry B | April 2026
  
  DOI
- Toward Accurate pH-Dependent Binding Constant Predictions Using Molecular Docking and Constant-pH MD Calculations.
  
  M. Yousef, Nuno F B Oliveira, João N. M. Vitorino, Pedro BPS Reis, Piotr Drączkowski, M. Maj, K. Jóźwiak, M. Machuqueiro
  
  Journal of chemical theory and computation | February 2025
  
  DOI Publication

- 25 Years of Cardiac Ion Channel QSAR: From hERG Dominance to Multi-Channel Modelling
  
  Mateusz Iwan, Francesca Grisoni, Pedro BPS Reis, Anastasia Pentina, Marina Garcia de Lomana, Alessandra Roncaglioni
  
  July 2026
  
  ChemRxiv | July 2026
  
  Preprint
- Improving the Estimation of p K a Values for All Titratable Amino Acids at the Water/Membrane Interface
  
  N. Oliveira, Pedro BPS Reis, M. Machuqueiro
  
  The Journal of Physical Chemistry B | April 2026
  
  DOI
- Toward Accurate pH-Dependent Binding Constant Predictions Using Molecular Docking and Constant-pH MD Calculations.
  
  M. Yousef, Nuno F B Oliveira, João N. M. Vitorino, Pedro BPS Reis, Piotr Drączkowski, M. Maj, K. Jóźwiak, M. Machuqueiro
  
  Journal of chemical theory and computation | February 2025
  
  DOI Publication

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