Pedro B. P. S. Reis
AuthID: R-00G-W3B
1
TITLE: Early sowing is more effective in the long-term for restoring sandy grassland than six years of mowing or carbon amendment
AUTHORS: Reis, Bruna Paolinelli; Kovendi Jako, Anna; Csakvari, Edina; Szitar, Katalin; Torok, Katalin; Saradi, Nora; Llumiquinga, Yesenia Belen; Halassy, Melinda;
PUBLISHED: 2023, SOURCE: ECOLOGICAL ENGINEERING, VOLUME: 186
AUTHORS: Reis, Bruna Paolinelli; Kovendi Jako, Anna; Csakvari, Edina; Szitar, Katalin; Torok, Katalin; Saradi, Nora; Llumiquinga, Yesenia Belen; Halassy, Melinda;
PUBLISHED: 2023, SOURCE: ECOLOGICAL ENGINEERING, VOLUME: 186
INDEXED IN: 
Scopus 
WOS
Scopus WOS2
TITLE: MembIT - A Tool to Calculate Solute Membrane Insertions and Deformations in Molecular Dynamics Simulations
AUTHORS: Suzano, Pedro M. S.; Pires, Ines D. S.; Silva, Tomas F. D.; Oliveira, Nuno F. B.; Reis, Pedro B. P. S.; Machuqueiro, Miguel;
PUBLISHED: 2023, SOURCE: JOURNAL OF COMPUTATIONAL BIOPHYSICS AND CHEMISTRY
AUTHORS: Suzano, Pedro M. S.; Pires, Ines D. S.; Silva, Tomas F. D.; Oliveira, Nuno F. B.; Reis, Pedro B. P. S.; Machuqueiro, Miguel;
PUBLISHED: 2023, SOURCE: JOURNAL OF COMPUTATIONAL BIOPHYSICS AND CHEMISTRY
INDEXED IN: Scopus WOS
Scopus WOS3
TITLE: pKPDB: a protein data bank extension database of pK(a) and pI theoretical values Full Text
AUTHORS: Reis, PBPS; Clevert, DA; Machuqueiro, M;
PUBLISHED: 2022, SOURCE: BIOINFORMATICS, VOLUME: 38, ISSUE: 1
AUTHORS: Reis, PBPS; Clevert, DA; Machuqueiro, M;
PUBLISHED: 2022, SOURCE: BIOINFORMATICS, VOLUME: 38, ISSUE: 1
INDEXED IN: WOS
WOS4
TITLE: Optimization of an in Silico Protocol Using Probe Permeabilities to Identify Membrane Pan-Assay Interference Compounds Full Text
AUTHORS: Magalhaes, Pedro R.; Reis, Pedro B. P. S.; Vila Vicosa, Diogo; Machuqueiro, Miguel; Victor, Bruno L.;
PUBLISHED: 2022, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 62, ISSUE: 12
AUTHORS: Magalhaes, Pedro R.; Reis, Pedro B. P. S.; Vila Vicosa, Diogo; Machuqueiro, Miguel; Victor, Bruno L.;
PUBLISHED: 2022, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 62, ISSUE: 12
INDEXED IN: WOS
WOS5
TITLE: Optimization of an in Silico Protocol Using Probe Permeabilities to Identify Membrane Pan-Assay Interference Compounds
AUTHORS: Magalhães, PR; Reis, PBPS; Vila Viçosa, D; Machuqueiro, M; Victor, BL;
PUBLISHED: 2022, SOURCE: Journal of chemical information and modeling, VOLUME: 62, ISSUE: 12
AUTHORS: Magalhães, PR; Reis, PBPS; Vila Viçosa, D; Machuqueiro, M; Victor, BL;
PUBLISHED: 2022, SOURCE: Journal of chemical information and modeling, VOLUME: 62, ISSUE: 12
INDEXED IN: Scopus
Scopus6
TITLE: Antibody-Antigen Binding Interface Analysis in the Big Data Era
AUTHORS: Reis, Pedro B. P. S.; Barletta, German P.; Gagliardi, Luca; Fortuna, Sara; Soler, Miguel A.; Rocchia, Walter;
PUBLISHED: 2022, SOURCE: FRONTIERS IN MOLECULAR BIOSCIENCES, VOLUME: 9
AUTHORS: Reis, Pedro B. P. S.; Barletta, German P.; Gagliardi, Luca; Fortuna, Sara; Soler, Miguel A.; Rocchia, Walter;
PUBLISHED: 2022, SOURCE: FRONTIERS IN MOLECULAR BIOSCIENCES, VOLUME: 9
INDEXED IN: Scopus WOS
Scopus WOS7
TITLE: A Fast and Interpretable Deep Learning Approach for Accurate Electrostatics-Driven pK(a) Predictions in Proteins Full Text
AUTHORS: Reis, Pedro B. P. S.; Bertolini, Marco; Montanari, Floriane; Rocchia, Walter; Machuqueiro, Miguel; Clevert, Djork Arne;
PUBLISHED: 2022, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 18, ISSUE: 8
AUTHORS: Reis, Pedro B. P. S.; Bertolini, Marco; Montanari, Floriane; Rocchia, Walter; Machuqueiro, Miguel; Clevert, Djork Arne;
PUBLISHED: 2022, SOURCE: JOURNAL OF CHEMICAL THEORY AND COMPUTATION, VOLUME: 18, ISSUE: 8
INDEXED IN: Scopus WOS
Scopus WOS8
TITLE: Extending the Stochastic Titration CpHMD to CHARMM36m
AUTHORS: Sequeira, Joao G. N.; Rodrigues, Filipe E. P.; Silva, Telmo G. D.; Reis, Pedro B. P. S.; Machuqueiro, Miguel;
PUBLISHED: 2022, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 126, ISSUE: 40
AUTHORS: Sequeira, Joao G. N.; Rodrigues, Filipe E. P.; Silva, Telmo G. D.; Reis, Pedro B. P. S.; Machuqueiro, Miguel;
PUBLISHED: 2022, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 126, ISSUE: 40
INDEXED IN: Scopus WOS
Scopus WOS9
TITLE: A pH Replica Exchange Scheme in the Stochastic Titration Constant-pH MD Method
AUTHORS: Vila Viçosa, D; Reis, PBPS; Baptista, AM; Oostenbrink, C; MacHuqueiro, M;
PUBLISHED: 2019, SOURCE: Journal of Chemical Theory and Computation
AUTHORS: Vila Viçosa, D; Reis, PBPS; Baptista, AM; Oostenbrink, C; MacHuqueiro, M;
PUBLISHED: 2019, SOURCE: Journal of Chemical Theory and Computation
INDEXED IN: Scopus
Scopus10
TITLE: PypKa: A flexible Poisson-Boltzmann-based python API for pKa calculations Full Text
AUTHORS: Reis, PBPS; Vila Vicosa, D; Rocchia, W; Machuqueiro, M;
PUBLISHED: 2019, SOURCE: Joint 12th EBSA European Biophysics Congress / 10th IUPAP International Conference on Biological Physics (ICBP) in EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS, VOLUME: 48
AUTHORS: Reis, PBPS; Vila Vicosa, D; Rocchia, W; Machuqueiro, M;
PUBLISHED: 2019, SOURCE: Joint 12th EBSA European Biophysics Congress / 10th IUPAP International Conference on Biological Physics (ICBP) in EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS, VOLUME: 48
INDEXED IN: WOS
WOS