11
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: 7
12
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: 6
IN MY: ORCID
14
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: 29
15
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: 13
IN MY: ORCID
16
TITLE: Animal Fatty Acid Synthase: A Chemical Nanofactory  Full Text
AUTHORS: Paiva, P ; Medina, FE; Viegas, M; Ferreira, P ; Neves, Rui P. P. ; Sousa, JPM; Ramos, MJ ; Fernandes, PA ;
PUBLISHED: 2021, SOURCE: CHEMICAL REVIEWS, VOLUME: 121, ISSUE: 15
INDEXED IN: WOS CrossRef: 83
IN MY: ORCID
18
TITLE: Reaction Mechanism of MHETase, a PET Degrading Enzyme
AUTHORS: Pinto, AV; Ferreira, P ; Neves, Rui P. P. ; Fernandes, PA ; Ramos, MJ ; Magalhaes, AL ;
PUBLISHED: 2021, SOURCE: ACS CATALYSIS, VOLUME: 11, ISSUE: 16
INDEXED IN: Scopus WOS CrossRef: 75
IN MY: ORCID
19
TITLE: Reaction Mechanism of the PET Degrading Enzyme PETase Studied with DFT/MM Molecular Dynamics Simulations
AUTHORS: Jerves, C; Neves, Rui P. P. ; Ramos, MJ ; da Silva, S; Fernandes, PA ;
PUBLISHED: 2021, SOURCE: ACS CATALYSIS, VOLUME: 11, ISSUE: 18
INDEXED IN: Scopus WOS CrossRef: 110
IN MY: ORCID
20
TITLE: A Computational and Modeling Study of the Reaction Mechanism of Staphylococcus aureus Monoglycosyltransferase Reveals New Insights on the GT51 Family of Enzymes  Full Text
AUTHORS: Kenneth Goossens; Neves, Rui P. P. ; Pedro A Fernandes ; Hans De Winter;
PUBLISHED: 2020, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 60, ISSUE: 11
INDEXED IN: Scopus WOS CrossRef: 7
IN MY: ORCID
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