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Nuno F B Oliveira

Showing results (1-10 of 11) with videos related to

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Journal of Chemical Information and Modeling|April 20, 2022
Novel US-CpHMD Protocol to Study the Protonation-Dependent Mechanism of the ATP/ADP CarrierNuno F B Oliveira, Miguel Machuqueiro
Biophysical Journal|August 31, 2024
Constant-pH MD simulations of the protonation-triggered conformational switching in diphtheria toxin translocation domainNuno F B Oliveira, Alexey S Ladokhin, Miguel Machuqueiro
Journal of Chemical Theory and Computation|August 19, 2020
Improved GROMOS 54A7 Charge Sets for Phosphorylated Tyr, Ser, and Thr to Deal with pH-Dependent Binding PhenomenaNuno F B Oliveira, Inês D S Pires, Miguel Machuqueiro
The Journal of Physical Chemistry. B|April 13, 2026
Improving the Estimation of p<i>K</i><sub>a</sub> Values for All Titratable Amino Acids at the Water/Membrane InterfaceNuno F B Oliveira, Pedro B P S Reis, Miguel Machuqueiro
Methods in Molecular Biology (Clifton, N.J.)|July 24, 2021
pK <sub>a</sub> Calculations in Membrane Proteins from Molecular Dynamics SimulationsNuno F B Oliveira, Tomás F D Silva, Pedro B P S Reis, et al.
Journal of Chemical Information and Modeling|May 3, 2023
Interfacial Dynamics and Growth Modes of β<sub>2</sub>-Microglobulin DimersNuno F B Oliveira, Filipe E P Rodrigues, João N M Vitorino, et al.
Computational and Structural Biotechnology Journal|October 11, 2021
Predicting stable binding modes from simulated dimers of the D76N mutant of <math></math> 2-microglobulinNuno F B Oliveira, Filipe E P Rodrigues, João N M Vitorino, et al.
Journal of Chemical Theory and Computation|February 20, 2025
Toward Accurate pH-Dependent Binding Constant Predictions Using Molecular Docking and Constant-pH MD CalculationsMohannad J Yousef, Nuno F B Oliveira, João N M Vitorino, et al.
Toxins|July 28, 2023
Histidine Protonation and Conformational Switching in Diphtheria Toxin Translocation DomainMykola V Rodnin, Victor Vasques-Montes, Alexander Kyrychenko, et al.
Pharmacological Research|August 19, 2024
A novel combinatory treatment against a CDDP-resistant non-small cell lung cancer based on a Ruthenium(II)-cyclopentadienyl compoundIris C Salaroglio, Denitsa Stefanova, Ricardo G Teixeira, et al.
Pageof 2

Showing results (1-10 of 11) with videos related to

Sort By:
Pageof 2
Journal of Chemical Information and Modeling|April 20, 2022
Novel US-CpHMD Protocol to Study the Protonation-Dependent Mechanism of the ATP/ADP CarrierNuno F B Oliveira, Miguel Machuqueiro
Biophysical Journal|August 31, 2024
Constant-pH MD simulations of the protonation-triggered conformational switching in diphtheria toxin translocation domainNuno F B Oliveira, Alexey S Ladokhin, Miguel Machuqueiro
Journal of Chemical Theory and Computation|August 19, 2020
Improved GROMOS 54A7 Charge Sets for Phosphorylated Tyr, Ser, and Thr to Deal with pH-Dependent Binding PhenomenaNuno F B Oliveira, Inês D S Pires, Miguel Machuqueiro
The Journal of Physical Chemistry. B|April 13, 2026
Improving the Estimation of p<i>K</i><sub>a</sub> Values for All Titratable Amino Acids at the Water/Membrane InterfaceNuno F B Oliveira, Pedro B P S Reis, Miguel Machuqueiro
Methods in Molecular Biology (Clifton, N.J.)|July 24, 2021
pK <sub>a</sub> Calculations in Membrane Proteins from Molecular Dynamics SimulationsNuno F B Oliveira, Tomás F D Silva, Pedro B P S Reis, et al.
Journal of Chemical Information and Modeling|May 3, 2023
Interfacial Dynamics and Growth Modes of β<sub>2</sub>-Microglobulin DimersNuno F B Oliveira, Filipe E P Rodrigues, João N M Vitorino, et al.
Computational and Structural Biotechnology Journal|October 11, 2021
Predicting stable binding modes from simulated dimers of the D76N mutant of <math></math> 2-microglobulinNuno F B Oliveira, Filipe E P Rodrigues, João N M Vitorino, et al.
Journal of Chemical Theory and Computation|February 20, 2025
Toward Accurate pH-Dependent Binding Constant Predictions Using Molecular Docking and Constant-pH MD CalculationsMohannad J Yousef, Nuno F B Oliveira, João N M Vitorino, et al.
Toxins|July 28, 2023
Histidine Protonation and Conformational Switching in Diphtheria Toxin Translocation DomainMykola V Rodnin, Victor Vasques-Montes, Alexander Kyrychenko, et al.
Pharmacological Research|August 19, 2024
A novel combinatory treatment against a CDDP-resistant non-small cell lung cancer based on a Ruthenium(II)-cyclopentadienyl compoundIris C Salaroglio, Denitsa Stefanova, Ricardo G Teixeira, et al.
Pageof 2