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TITLE: New insights into the catalytic mechanism of the SARS-CoV-2 main protease: an ONIOM QM/MM approach  Full Text
AUTHORS: Fernandes, HS ; Sérgio F. Sousa ; Cerqueira, NMFSA;
PUBLISHED: 2022, SOURCE: MOLECULAR DIVERSITY, VOLUME: 26, ISSUE: 3
INDEXED IN: Scopus WOS CrossRef: 17
3
TITLE: LegionellaDB - A Database on Legionela Outbreaks  Full Text
AUTHORS: Goncalves, IG; Fernandes, HS ; Melo, A ; Sérgio F. Sousa ; Simoes, LC; Simoes, M;
PUBLISHED: 2021, SOURCE: TRENDS IN MICROBIOLOGY, VOLUME: 29, ISSUE: 10
INDEXED IN: Scopus WOS CrossRef: 7
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TITLE: The complete catalytic mechanism of xanthine oxidase: a computational study
AUTHORS: Ribeiro, PMG; Fernandes, HS ; Maia, LB; Sérgio F. Sousa ; Moura, JJG; Cerqueira, NMFSA;
PUBLISHED: 2021, SOURCE: INORGANIC CHEMISTRY FRONTIERS, VOLUME: 8, ISSUE: 2
INDEXED IN: Scopus WOS CrossRef: 14
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TITLE: The milk-derived lactoferrin inhibits V-ATPase activity by targeting its V1 domain  Full Text
AUTHORS: Santos Pereira, C; Rocha, JF ; Fernandes, HS ; Rodrigues, LR; Corte Real, M; Sérgio F. Sousa ;
PUBLISHED: 2021, SOURCE: INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES, VOLUME: 186
INDEXED IN: Scopus WOS CrossRef: 7
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TITLE: Modelling Enzymatic Mechanisms with QM/MM Approaches: Current Status and Future Challenges  Full Text
AUTHORS: Magalhaes, RP; Fernandes, HS ; Sérgio F. Sousa ;
PUBLISHED: 2020, SOURCE: ISRAEL JOURNAL OF CHEMISTRY, VOLUME: 60, ISSUE: 7
INDEXED IN: Scopus WOS CrossRef: 39
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TITLE: The Biofilms Structural Database  Full Text
AUTHORS: Rita P Magalhaes; Tatiana F Vieira; Henrique S Fernandes ; Andre Melo ; Manuel Simoes; Sérgio F. Sousa ;
PUBLISHED: 2020, SOURCE: TRENDS IN BIOTECHNOLOGY, VOLUME: 38, ISSUE: 9
INDEXED IN: Scopus WOS CrossRef: 14
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TITLE: VMD Store-A VMD Plugin to Browse, Discover, and Install VMD Extensions  Full Text
AUTHORS: Fernandes, HS ; Sérgio F. Sousa ; Cerqueira, NMFSA ;
PUBLISHED: 2019, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 59, ISSUE: 11
INDEXED IN: Scopus WOS CrossRef: 43
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TITLE: Catalytic Mechanism of the Serine Hydroxymethyltransferase: A Computational ONIOM QM/MM Study
AUTHORS: Henrique S Fernandes ; Maria Joao Ramos ; Nuno M F S A Cerqueira ;
PUBLISHED: 2018, SOURCE: ACS CATALYSIS, VOLUME: 8, ISSUE: 11
INDEXED IN: Scopus WOS CrossRef: 31
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