Rui Pedro Pimenta das Neves


AuthID: R-004-V46

Confirmed Publications: 37



1
TITLE: Correlating enzymatic reactivity for different substrates using transferable data- driven collective variables
AUTHORS: Das, Sudip; Raucci, Umberto; Neves, Rui P. P. ; Ramos, Maria J.; Parrinello, Michele;
PUBLISHED: 2024, SOURCE: PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, VOLUME: 121, ISSUE: 49
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
2
TITLE: DszA Catalyzes C-S Bond Cleavage through N5-Hydroperoxyl Formation  Full Text
AUTHORS: Pedro Ferreira ; Neves, Rui P. P. ; Miranda, Filipa P.; Cunha, Ana V.; Havenith, Remco W. A.; Ramos, Maria J.; Fernandes, Pedro A. ;
PUBLISHED: 2024, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 64, ISSUE: 10
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
3
TITLE: QM/MM MD Study on the Reaction Mechanism of Thymidine Phosphorylation Catalyzed by the Enzyme Thermotoga maritima Thymidine Kinase 1
AUTHORS: Makurat, Samanta; Neves, Rui P. P. ; Ramos, Maria J.; Rak, Janusz;
PUBLISHED: 2024, SOURCE: ACS CATALYSIS, VOLUME: 14, ISSUE: 13
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
4
5
TITLE: Feedback Inhibition of DszC, a Crucial Enzyme for Crude Oil Biodessulfurization  Full Text
AUTHORS: Neves, Rui P. P. ; Araujo, Bruno; Ramos, Maria J.; Fernandes, Pedro A. ;
PUBLISHED: 2023, SOURCE: CATALYSTS, VOLUME: 13, ISSUE: 4
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
6
TITLE: How and When Does an Enzyme React? Unraveling alpha-Amylase Catalytic Activity with Enhanced Sampling Techniques
AUTHORS: Das, Sudip; Raucci, Umberto; Neves, Rui P. P. ; Ramos, Maria J. J. ; Parrinello, Michele;
PUBLISHED: 2023, SOURCE: ACS CATALYSIS, VOLUME: 13, ISSUE: 12
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
7
TITLE: Rate-enhancing PETase mutations determined through DFT/MM molecular dynamics simulations  Full Text
AUTHORS: Jerves, Carola; Neves, Rui P. P. ; da Silva, Saulo L.; Ramos, Maria J. ; Fernandes, Pedro A. ;
PUBLISHED: 2023, SOURCE: NEW JOURNAL OF CHEMISTRY, VOLUME: 48, ISSUE: 1
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID
8
TITLE: Different Enzyme Conformations Induce Different Mechanistic Traits in HIV-1 Protease  Full Text
AUTHORS: Coimbra, Joao T. S. ; Neves, Rui P. P. ; Cunha, Ana, V; Ramos, Maria J. ; Fernandes, Pedro A. ;
PUBLISHED: 2022, SOURCE: CHEMISTRY-A EUROPEAN JOURNAL, VOLUME: 28, ISSUE: 42
INDEXED IN: Scopus WOS CrossRef: 3
IN MY: ORCID
9
TITLE: Engineering DszC Mutants from Transition State Macrodipole Considerations and Evolutionary Sequence Analysis  Full Text
AUTHORS: Neves, Rui P. P. ; Ramos, Maria J. ; Fernandes, Pedro A. ;
PUBLISHED: 2022, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 63, ISSUE: 1
INDEXED IN: Scopus WOS CrossRef: 4
IN MY: ORCID
10
TITLE: Engineering of PKS Megaenzymes-A Promising Way to Biosynthesize High-Value Active Molecules  Full Text
AUTHORS: Neves, Rui P. P. ; Ferreira, P; Medina, FE; Paiva, P ; Sousa, JPM; Viegas, MF; Fernandes, PA ; Ramos, MJ ;
PUBLISHED: 2022, SOURCE: TOPICS IN CATALYSIS, VOLUME: 65, ISSUE: 1-4
INDEXED IN: Scopus WOS CrossRef: 2
IN MY: ORCID
Page 1 of 4. Total results: 37.

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