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TITLE: Targeting <i>Pseudomonas aeruginosa</i> MvfR in the battle against biofilm formation: a multi-level computational approach
AUTHORS: Vieira, Tatiana F.; Magalhaes, Rita P.; Cerqueira, Nuno M. F. S. A.; Simoes, Manuel; Sérgio F. Sousa ;
PUBLISHED: 2022, SOURCE: MOLECULAR SYSTEMS DESIGN & ENGINEERING, VOLUME: 7, ISSUE: 10
INDEXED IN: Scopus WOS CrossRef: 1
32
TITLE: The Catalytic Mechanism of Pdx2 Glutaminase Driven by a Cys-His-Glu Triad: A Computational Study  Full Text
AUTHORS: Pina, AF; Sérgio F. Sousa ; Cerqueira, NMFSA;
PUBLISHED: 2022, SOURCE: CHEMBIOCHEM, VOLUME: 23, ISSUE: 9
INDEXED IN: Scopus WOS CrossRef: 3
33
TITLE: The critical role of Asp206 stabilizing residues on the catalytic mechanism of the <i>Ideonella sakaiensis</i> PETase
AUTHORS: Magalhaes, Rita P.; Fernandes, Henrique S.; Sérgio F. Sousa ;
PUBLISHED: 2022, SOURCE: CATALYSIS SCIENCE & TECHNOLOGY, VOLUME: 12, ISSUE: 11
INDEXED IN: WOS
34
TITLE: The critical role of Asp206 stabilizing residues on the catalytic mechanism of the Ideonella sakaiensis PETase
AUTHORS: Rita P Magalhães; Henrique S Fernandes; Sérgio F. Sousa ;
PUBLISHED: 2022, SOURCE: Catalysis Science and Technology, VOLUME: 12, ISSUE: 11
INDEXED IN: Scopus CrossRef: 3
35
TITLE: Transformation of a Chiral Glycolic Acid to an Isoaurone: Stereochemical Assignment of a Benzilic Acid Rearrangment Product  Full Text
AUTHORS: Burke, AJ; Teixeira, CSS; Sérgio F. Sousa ;
PUBLISHED: 2022, SOURCE: ASIAN JOURNAL OF ORGANIC CHEMISTRY, VOLUME: 11, ISSUE: 4
INDEXED IN: Scopus WOS CrossRef: 1
36
TITLE: Zn(ii) complexes with thiazolyl-hydrazones: structure, intermolecular interactions, photophysical properties, computational study and anticancer activity  Full Text
AUTHORS: Jovana B Araškov; Aleksandar Višnjevac; Jasminka Popović; Vladimir Blagojević; Henrique S Fernandes; Sérgio F. Sousa ; Irena Novaković; José M Padrón; Berta Barta Holló; Miguel Monge; María Rodríguez Castillo; José M López De Luzuriaga; Nenad R Filipović; Tamara R Todorović;
PUBLISHED: 2022, SOURCE: CrystEngComm, VOLUME: 24, ISSUE: 29
INDEXED IN: Scopus CrossRef: 6
37
TITLE: A beta(31-35) Decreases Neprilysin-Mediated Alzheimer's Amyloid-beta Peptide Degradation
AUTHORS: Leite, JP; Lete, MG; Fowler, SB; Gimeno, A; Rocha, JF; Sérgio F. Sousa ; Webster, CI; Jimenez Bar Bero, JJ; Gales, L ;
PUBLISHED: 2021, SOURCE: ACS CHEMICAL NEUROSCIENCE, VOLUME: 12, ISSUE: 19
INDEXED IN: Scopus WOS CrossRef: 4
38
TITLE: A QM/MM Evaluation of the Missing Step in the Reduction Mechanism of HMG-CoA by Human HMG-CoA Reductase
AUTHORS: Mihaljevic Juric, P; Sérgio F. Sousa ;
PUBLISHED: 2021, SOURCE: PROCESSES, VOLUME: 9, ISSUE: 7
INDEXED IN: Scopus WOS CrossRef
39
TITLE: Amino Alcohols from Eugenol as Potential Semisynthetic Insecticides: Chemical, Biological, and Computational Insights  Full Text
AUTHORS: Pereira, RB; Pinto, NFS; Fernandes, MJG; Vieira, TF; Rodrigues, ARO; Pereira, DM ; Sérgio F. Sousa ; Castanheira, EMS; Fortes, AG; Goncalves, MST;
PUBLISHED: 2021, SOURCE: MOLECULES, VOLUME: 26, ISSUE: 21
INDEXED IN: Scopus WOS CrossRef: 12
40
TITLE: An Unsual Cys-Glu-Lys Catalytic Triad is Responsible for the Catalytic Mechanism of the Nitrilase Superfamily: A QM/MM Study on Nit2  Full Text
AUTHORS: Teixeira, CSS; Sérgio F. Sousa ; Cerqueira, NMFSA;
PUBLISHED: 2021, SOURCE: CHEMPHYSCHEM, VOLUME: 22, ISSUE: 8
INDEXED IN: Scopus WOS CrossRef: 7
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