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TITLE: Venomous Peptides: Molecular Origin of the Toxicity of Snake Venom PLA2-like Peptides
AUTHORS: Coimbra, JoaoT. S. ; Gissler, Antoine; Nitor, Emiel; Rostamipour, Kiana; Cunha, Ana V.; Ramos, Maria J. ; Fernandes, Pedro A. ;
PUBLISHED: 2024, SOURCE: JACS AU
INDEXED IN: Scopus WOS CrossRef
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TITLE: Catalytically Active Snake Venom PLA(2) Enzymes: An Overview of Its Elusive Mechanisms of Reaction. Miniperspective  Full Text
AUTHORS: Castro Amorim, Juliana; de Oliveira, Ana Novo; Da Silva, Saulo Luis; Soares, Andreimar M.; Mukherjee, Ashis K.; Ramos, Maria Joao ; Fernandes, Pedro A. . ;
PUBLISHED: 2023, SOURCE: JOURNAL OF MEDICINAL CHEMISTRY, VOLUME: 66, ISSUE: 8
INDEXED IN: Scopus WOS CrossRef: 6
6
TITLE: Deciphering the Catalytic Mechanism of Virginiamycin B Lyase with Multiscale Methods and Molecular Dynamics Simulations  Full Text
AUTHORS: Coimbra, Joas T. S. ; Fernandes, Pedro A. ; Ramos, Maria J. ;
PUBLISHED: 2023, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 63, ISSUE: 20
INDEXED IN: Scopus WOS CrossRef
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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
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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
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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: 1
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