Sergio Filipe Maia de Sousa

Research Lab Leader

CEEC Individual Assistant Researcher (since 2021)
Personal Website
Ciência Vitae

Recent publications

  • Juliana FRocha; Sérgio FSousa; Nuno MFSousa ACerqueira. 2022. Computational Studies Devoted to the Catalytic Mechanism of Threonine Aldolase, a Critical Enzyme in the Pharmaceutical Industry to Synthesize β-Hydroxy-α-amino Acids. ACS Catalysis, DOI: 10.1021/acscatal.1c05567
  • André FPina; Sérgio FSousa; Nuno MFSACerqueira. 2022. Cover Feature: The Catalytic Mechanism of Pdx2 Glutaminase Driven by a Cys‐His‐Glu Triad: A Computational Study (ChemBioChem 9/2022). CHEMBIOCHEM, DOI: 10.1002/cbic.202200024
  • Rita PMagalhães; Henrique SFernandes; Sérgio FSousa. 2022. The critical role of Asp206 stabilizing residues on the catalytic mechanism of the Ideonella sakaiensis PETase. Catalysis Science & Technology, DOI: 10.1039/D1CY02271G
  • 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
  • Pereira, AC; Ferreira, D; Santos-Pereira, C; Vieira, TF; Sousa, SF; Sales, G; Rodrigues, LR. 2021. Selection of a new peptide homing SK-BR-3 breast cancer cells. Chemical Biology & Drug Design, DOI: 10.1111/cbdd.13816
  • 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;