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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
3
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
4
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
5
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
6
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
7
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
9
TITLE: Role of Enzyme and Active Site Conformational Dynamics in the Catalysis by α-Amylase Explored with QM/MM Molecular Dynamics  Full Text
AUTHORS: Neves, Rui P. P. ; Fernandes, Pedro A. ; Ramos, Maria J. ;
PUBLISHED: 2022, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 62, ISSUE: 15
INDEXED IN: Scopus WOS CrossRef: 7
IN MY: ORCID
10
TITLE: Towards the Accurate Thermodynamic Characterization of Enzyme Reaction Mechanisms  Full Text
AUTHORS: Neves, Rui P. P. ; Cunha, Ana, V; Fernandes, Pedro A. ; Ramos, Maria J. ;
PUBLISHED: 2022, SOURCE: CHEMPHYSCHEM, VOLUME: 23, ISSUE: 13
INDEXED IN: Scopus WOS CrossRef: 7
IN MY: ORCID
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