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Nucleic Acids Research
|
April 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
Bioinformatics (Oxford, England)
|
July 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
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 Interface
Nuno F B Oliveira, Pedro B P S Reis, Miguel Machuqueiro
Journal of Chemical Information and Modeling
|
August 29, 2020
PypKa: A Flexible Python Module for Poisson-Boltzmann-Based p<i>K</i><sub>a</sub> Calculations
Pedro B P S Reis, Diogo Vila-Viçosa, Walter Rocchia, et al.
Journal of Chemical Theory and Computation
|
February 11, 2016
pK(a) Values of Titrable Amino Acids at the Water/Membrane Interface
Vitor H Teixeira, Diogo Vila-Viçosa, Pedro B P S Reis, et al.
Journal of Chemical Theory and Computation
|
March 26, 2019
A pH Replica Exchange Scheme in the Stochastic Titration Constant-pH MD Method
Diogo Vila-Viçosa, Pedro B P S Reis, António M Baptista, et al.
Methods in Molecular Biology (Clifton, N.J.)
|
July 24, 2021
pK <sub>a</sub> Calculations in Membrane Proteins from Molecular Dynamics Simulations
Nuno F B Oliveira, Tomás F D Silva, Pedro B P S Reis, et al.
Journal of Chemical Information and Modeling
|
June 13, 2022
Optimization of an <i>in Silico</i> Protocol Using Probe Permeabilities to Identify Membrane Pan-Assay Interference Compounds
Pedro R Magalhães, Pedro B P S Reis, Diogo Vila-Viçosa, et al.
Molecules (Basel, Switzerland)
|
October 27, 2019
Bioactivities of <i>Centaurium erythraea</i> (Gentianaceae) Decoctions: Antioxidant Activity, Enzyme Inhibition and Docking Studies
Laura Guedes, Pedro B P S Reis, Miguel Machuqueiro, et al.
Methods in Molecular Biology (Clifton, N.J.)
|
July 24, 2021
Identification of Pan-Assay INterference compoundS (PAINS) Using an MD-Based Protocol
Pedro R Magalhães, Pedro B P S Reis, Diogo Vila-Viçosa, et al.
Page
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Search research articles
Search
Showing results (1-10 of 17) with videos related to
Sort By:
Page
of 2
Nucleic Acids Research
|
April 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
Bioinformatics (Oxford, England)
|
July 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
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 Interface
Nuno F B Oliveira, Pedro B P S Reis, Miguel Machuqueiro
Journal of Chemical Information and Modeling
|
August 29, 2020
PypKa: A Flexible Python Module for Poisson-Boltzmann-Based p<i>K</i><sub>a</sub> Calculations
Pedro B P S Reis, Diogo Vila-Viçosa, Walter Rocchia, et al.
Journal of Chemical Theory and Computation
|
February 11, 2016
pK(a) Values of Titrable Amino Acids at the Water/Membrane Interface
Vitor H Teixeira, Diogo Vila-Viçosa, Pedro B P S Reis, et al.
Journal of Chemical Theory and Computation
|
March 26, 2019
A pH Replica Exchange Scheme in the Stochastic Titration Constant-pH MD Method
Diogo Vila-Viçosa, Pedro B P S Reis, António M Baptista, et al.
Methods in Molecular Biology (Clifton, N.J.)
|
July 24, 2021
pK <sub>a</sub> Calculations in Membrane Proteins from Molecular Dynamics Simulations
Nuno F B Oliveira, Tomás F D Silva, Pedro B P S Reis, et al.
Journal of Chemical Information and Modeling
|
June 13, 2022
Optimization of an <i>in Silico</i> Protocol Using Probe Permeabilities to Identify Membrane Pan-Assay Interference Compounds
Pedro R Magalhães, Pedro B P S Reis, Diogo Vila-Viçosa, et al.
Molecules (Basel, Switzerland)
|
October 27, 2019
Bioactivities of <i>Centaurium erythraea</i> (Gentianaceae) Decoctions: Antioxidant Activity, Enzyme Inhibition and Docking Studies
Laura Guedes, Pedro B P S Reis, Miguel Machuqueiro, et al.
Methods in Molecular Biology (Clifton, N.J.)
|
July 24, 2021
Identification of Pan-Assay INterference compoundS (PAINS) Using an MD-Based Protocol
Pedro R Magalhães, Pedro B P S Reis, Diogo Vila-Viçosa, et al.
Page
of 2