1
TITLE: Beyond Fang's fury: a computational study of the enzyme-membrane interaction and catalytic pathway of the snake venom phospholipase A2 toxin
AUTHORS: Castro Amorim, Juliana; Pinto, Alexandre V.; Mukherjee, Ashis K.; Ramos, Maria J.; Fernandes, Pedro A. ;
PUBLISHED: 2025, SOURCE: CHEMICAL SCIENCE, VOLUME: 16, ISSUE: 4
INDEXED IN: Scopus WOS CrossRef
2
TITLE: Atomistic adsorption of PETase onto large-scale PET 3D-models that mimic reality  Full Text
AUTHORS: Paiva, P. ; Ippoliti, E.; Carloni, P.; Fernandes, P. A. ; Ramos, M. J.;
PUBLISHED: 2024, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS
INDEXED IN: Scopus WOS CrossRef
3
TITLE: Unveiling the enzymatic pathway of UMG-SP2 urethanase: insights into polyurethane degradation at the atomic level
AUTHORS: Paiva, P. ; Teixeira, L. M. C.; Wei, R.; Liu, W.; Weber, G.; Morth, J. P.; Westh, P.; Petersen, A. R.; Johansen, M. B.; Sommerfeldt, A.; Sandahl, A.; Otzen, D. E.; Fernandes, P. A. ; Ramos, M. J.;
PUBLISHED: 2024, SOURCE: CHEMICAL SCIENCE
INDEXED IN: Scopus WOS CrossRef
4
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
5
TITLE: Modern Strategies for the Diversification of the Supply of Natural Compounds: The Case of Alkaloid Painkillers  Full Text
AUTHORS: Sousa, JPM; Ramos, MJ; Fernandes, PA ;
PUBLISHED: 2022, SOURCE: CHEMBIOCHEM, VOLUME: 23, ISSUE: 10
INDEXED IN: Scopus WOS CrossRef: 3
6
TITLE: Modern computational methods for rational enzyme engineering
AUTHORS: Pedro Ferreira ; Fernandes, Pedro Alexandrino ; Ramos, Maria Joao;
PUBLISHED: 2022, SOURCE: CHEM CATALYSIS, VOLUME: 2, ISSUE: 10
INDEXED IN: Scopus WOS CrossRef: 8
7
TITLE: Unraveling the cGAS catalytic mechanism upon DNA activation through molecular dynamics simulations  Full Text
AUTHORS: Soler, J; Paiva, P ; Ramos, MJ; Fernandes, PA ; Brut, M;
PUBLISHED: 2021, SOURCE: PHYSICAL CHEMISTRY CHEMICAL PHYSICS, VOLUME: 23, ISSUE: 15
INDEXED IN: Scopus WOS CrossRef: 4
8
TITLE: The Catalytic Mechanism of the Retaining Glycosyltransferase Mannosylglycerate Synthase  Full Text
AUTHORS: Pedro Ferreira ; Fernandes, PA ; Ramos, MJ;
PUBLISHED: 2021, SOURCE: CHEMISTRY-A EUROPEAN JOURNAL, VOLUME: 27, ISSUE: 56
INDEXED IN: Scopus WOS CrossRef: 4
9
TITLE: Stakeholders' perceptions towards non-native acacias and implications for their management in Portugal
AUTHORS: Vaz, AS; Ribeiro, J; Honrado, JP ; Vicente, JR;
PUBLISHED: 2020, SOURCE: FORESTRY, VOLUME: 93, ISSUE: 4
INDEXED IN: Scopus WOS CrossRef: 10
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