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
Pedro Reis
Senior Researcher
出版物
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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
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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
-
-
-
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
-
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
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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
-
-
-
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
-
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
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