Rui P P Neves
Universidade do Porto
H-index: 17
Europe-Portugal
Top articles of Rui P P Neves
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
DszA Catalyzes C–S Bond Cleavage through N5–Hydroperoxyl Formation | Journal of Chemical Information and Modeling | Pedro Ferreira Rui PP Neves Filipa P Miranda Ana V Cunha Remco WA Havenith | 2024/4/29 |
Rate-enhancing PETase mutations determined through DFT/MM molecular dynamics simulations | New Journal of Chemistry | Carola Jerves Rui PP Neves Saulo L da Silva Maria J Ramos Pedro A Fernandes | 2024 |
How and when does an enzyme react? Unraveling α-Amylase catalytic activity with enhanced sampling techniques | ACS Catalysis | Sudip Das Umberto Raucci Rui PP Neves Maria J Ramos Michele Parrinello | 2023/6/1 |
Feedback Inhibition of DszC, a Crucial Enzyme for Crude Oil Biodessulfurization | Catalysts | Rui PP Neves Bruno Araújo Maria J Ramos Pedro A Fernandes | 2023/4/13 |
Towards the Accurate Thermodynamic Characterization of Enzyme Reaction Mechanisms | ChemPhysChem | Rui PP Neves Ana V Cunha Pedro A Fernandes Maria J Ramos | 2022/7/5 |
Engineering DszC Mutants from Transition State Macrodipole Considerations and Evolutionary Sequence Analysis | Journal of Chemical Information and Modeling | Rui PP Neves Maria J Ramos Pedro A Fernandes | 2022/12/19 |
MNTR PROTEINS AS MANGANESE METALLOSENZORS IN BACILUS SUBTILUS AND MYCOBACTERIUM TUBERCULOSIS | Branmir Bertoša Zoe Jelić Matošević Mislav Brajković Ivana Leščić Ašler Rui PP Neves | 2022 | |
QM/MM study of the reaction mechanism of thermophilic glucuronoyl esterase for biomass treatment | ChemPhysChem | Matilde F Viegas Rui PP Neves Maria J Ramos Pedro A Fernandes | 2022/10/19 |
Parametrization of the Mn2+ Binding Site of Protein SloR (S. mutans) Starting from the Zn2+ bound Crystal Structure | K Radman Z Jelić Matošević RPP Neves PA Fernandes B Bertoša | 2022 | |
Cover Feature: Different Enzyme Conformations Induce Different Mechanistic Traits in HIV‐1 Protease (Chem. Eur. J. 42/2022). | Chemistry-A European Journal | João TS Coimbra Rui PP Neves Ana V Cunha Maria J Ramos Pedro A Fernandes | 2022/7/26 |
Thymidine Kinase 1 case-on the importance of the starting structure for QM/MM mechanistic studies | Samanta Makurat Rui PP Neves Maria J Ramos Janusz Rak | 2022 | |
Role of enzyme and active site conformational dynamics in the catalysis by α-amylase explored with QM/MM molecular dynamics | Journal of Chemical Information and Modeling | Rui PP Neves Pedro A Fernandes Maria J Ramos | 2022/7/26 |
QM/MM studies on the mechanism of action of thymidine kinase 1 | Samanta Romanowska Rui PP Neves Maria J Ramos Janusz Rak | 2022 | |
Different Enzyme Conformations Induce Different Mechanistic Traits in HIV‐1 Protease | Chemistry–A European Journal | João TS Coimbra Rui PP Neves Ana V Cunha Maria J Ramos Pedro A Fernandes | 2022/7/26 |
Reaction mechanism of the PET degrading enzyme PETase studied with DFT/MM molecular dynamics simulations | ACS Catalysis | Carola Jerves Rui PP Neves Maria J Ramos Saulo da Silva Pedro A Fernandes | 2021/9/3 |
Engineering of PKS megaenzymes—a promising way to biosynthesize high-value active molecules | Topics in Catalysis | Rui PP Neves Pedro Ferreira Fabiola E Medina Pedro Paiva Joao PM Sousa | 2021 |
Reaction mechanism of MHETase, a PET degrading enzyme | ACS Catalysis | Alexandre V Pinto Pedro Ferreira Rui PP Neves Pedro A Fernandes Maria J Ramos | 2021/8/6 |
Animal fatty acid synthase: a chemical nanofactory | Pedro Paiva Fabiola E Medina Matilde Viegas Pedro Ferreira Rui PP Neves | 2021/6/22 | |
Combined in silico and in vitro studies to identify novel antidiabetic flavonoids targeting glycogen phosphorylase | Bioorganic Chemistry | Natércia F Brás Rui PP Neves Filipa AA Lopes Márcia AS Correia Angelina S Palma | 2021/3/1 |
Computational study of the mycobacterium tuberculosis transcriptional repressor MntR | Zoe Jelić Matošević Mislav Brajković Rui PP Neves Pedro Alexandrino Fernandes Branimir Bertoša | 2021 |
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