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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: 18
12
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: 7
13
TITLE: Unraveling the Reaction Mechanism of Russell?s Viper Venom Factor X Activator: A Paradigm for the Reactivity of Zinc Metalloproteinases?  Full Text
AUTHORS: Castro Amorim, Juliana; Oliveira, Ana ; Mukherjee, Ashis K.; Ramos, Maria J. ; Fernandes, Pedro A. ;
PUBLISHED: 2023, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 63, ISSUE: 13
INDEXED IN: Scopus WOS CrossRef: 6
15
TITLE: A Strategy to Assess Water Meter Performance
AUTHORS: Cordeiro, C ; Borges, A ; Ramos, MR ;
PUBLISHED: 2022, SOURCE: JOURNAL OF WATER RESOURCES PLANNING AND MANAGEMENT, VOLUME: 148, ISSUE: 2
INDEXED IN: Scopus WOS CrossRef: 15 Handle
IN MY: ORCID
16
TITLE: Development of Nanoscale Graphene Oxide Models for the Adsorption of Biological Molecules
AUTHORS: V. Pinto, Alexandre; Pedro Ferreira ; Fernandes, Pedro A. . ; Magalhaes, Alexandre L. ; Ramos, Maria J. ;
PUBLISHED: 2022, SOURCE: JOURNAL OF PHYSICAL CHEMISTRY B, VOLUME: 127, ISSUE: 2
INDEXED IN: Scopus WOS CrossRef: 5
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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
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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
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