People
Sergio Filipe Maia de Sousa
Research Lab Leader
Email
sergiofsousa@med.up.pt
Researcher ID
ORCID
Ciência Vitae
Recent publications
- Gonçalves, IG; Fernandes, HS; Melo, A; Sousa, SF; Simões, LC; Simões, M. 2021. LegionellaDB – A Database on Legionella Outbreaks. TRENDS IN MICROBIOLOGY, DOI: 10.1016/j.tim.2021.01.015
- Ribeiro, PMG; Fernandes, HS; Maia, LB; Sousa, SF; Moura, JJG; Cerqueira, NMFSA. 2021. The complete catalytic mechanism of xanthine oxidase: a computational study. Inorganic Chemistry Frontiers, 8, DOI: 10.1039/d0qi01029d
- Lapaillerie, D; Charlier, C; Fernandes, HS; Sousa, SF; Lesbats, P; Weigel, P; Favereaux, A; Guyonnet-Duperat, V; Parissi, V. 2021. In Silico, In Vitro and In Cellulo Models for Monitoring SARS-CoV-2 Spike/Human ACE2 Complex, Viral Entry and Cell Fusion. Viruses-Basel, 13, DOI: 10.3390/v13030365
- Teixeira, CSS; Sousa, SF; Cerqueira, NMFSA. 2021. An Unsual Cys-Glu-Lys Catalytic Triad is Responsible for the Catalytic Mechanism of the Nitrilase Superfamily: A QM/MM Study on Nit2. CHEMPHYSCHEM, 22, DOI: 10.1002/cphc.202000751
- Carla Sílvia Silva Teixeira; Nuno MFSACerqueira; Sérgio Filipe Sousa. 2020. Multifunctional Enzymes as Targets for the Treatment of Tuberculosis: Paving the Way for New Anti-TB Drugs. CURRENT MEDICINAL CHEMISTRY, DOI: 10.2174/0929867328666201229122722
- Fernandes, HS; Sousa, SF; Cerqueira, NMFSA. 2019. VMD Store-A VMD Plugin to Browse, Discover, and Install VMD Extensions. Journal of Chemical Information and Modeling, 59, DOI: 10.1021/acs.jcim.9b00739
- Fernandes, HS; Teixeira, CSS; Sousa, SF; Cerqueira, NMFSA. 2019. Formation of Unstable and very Reactive Chemical Species Catalyzed by Metalloenzymes: A Mechanistic Overview. MOLECULES, 24, DOI: 10.3390/molecules24132462
- Rocha, JF; Pina, AF; Sousa, SF; Cerqueira, NMFSA. 2019. PLP-dependent enzymes as important biocatalysts for the pharmaceutical, chemical and food industries: a structural and mechanistic perspective. Catalysis Science & Technology, 9, DOI: 10.1039/c9cy01210a
Main research interests
- Computer Aided-Drug Design; Docking; Virtual Screening; Molecular Dynamics; Enzymatic Catalysis;