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Nuno M. F. S. A. Cerqueira (NSC) is a senior computational chemist at BIAL since 2018. He has a PhD in computational chemistry/biochemistry, > 98 papers published (h-index 28) and supervised 8 PhD students. He led 2 FCT projects and worked in 7 others. He was an assistance professor at University of Minho and University of Tras-os-montes e alto douro during 3 and 1 year, respectivelly . He was also part of the international master mundus program as an invited lecture. He develops scientific software and founded 2 spin-offs and 1 research group. He has also been a peer reviewer of more than 40 papers of scientific papers. He is member of he consulting board of Neoscopio SA. At BIAL SA, he applies computational methods to study therapeutic targets, develop drugs and uses data analytics to streamline the drug discovery process.
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Identification

Personal identification

Full name
Nuno Manuel Ferreira De Sousa De Azevedo Cerqueira

Citation names

  • Cerqueira, Nuno M. F. S. A.

Author identifiers

Ciência ID
E211-CF2C-4E5D
ORCID iD
0000-0003-0342-7424

Knowledge fields

  • Exact Sciences - Chemical Sciences

Languages

Language Speaking Reading Writing Listening Peer-review
English Advanced (C1) Advanced (C1) Advanced (C1) Advanced (C1) Advanced (C1)
Portuguese (Mother tongue)
Outputs

Publications

Conference abstract
  1. Coelho, Paulo Jorge dos Santos; Carvalho, Luis M.; Guglielmetti, Robert; Samat, André; Oliveira-Campos, Ana M.F.; Cerqueira, Nuno M. F. S. A.. "Synthesis of 2H-Chromenes Derived From 3-Carbethoxy-Hydroxycoumarins". Paper presented in XII European Symposium on Organic Chemistry, Groningen, 2001.
    Published
  2. Coelho, Paulo Jorge dos Santos; Carvalho, Luis M.; Samat, André; Guglielmetti, Robert; Oliveira-Campos, Ana M.F.; Cerqueira, Nuno M. F. S. A.. "Synthesis of 2H-Chromenes derived From Hydroxycoumarins". Paper presented in XIX th European Colloquium on Heterocyclic Chemistry, Aveiro, 2000.
    Published
  3. Coelho, Paulo Jorge dos Santos; Cerqueira, Nuno M. F. S. A.; Carvalho, Luis M.; Guglielmetti, Robert; Samat, André; Oliveira-Campos, Ana M.F.. "Sintese de um Cromeno Linear Derivado da 6-hidroxicumarina". Paper presented in XVII Encontro Nacional da Sociedade Portuguesa de Química, Lisboa, 2000.
    Published
Conference poster
  1. Pina, André F.; Sousa, Sérgio F.; Cerqueira, Nuno. Corresponding author: Pina, André F.. "A computational study on the catalytic mechanism of Pdx2: a glutaminase containing the Cys-His-Glu triad". Paper presented in 8º Encontro de Jovens Investigadores de Biologia Computacional Estrutural (EJIBCE), 2021.
  2. Pina, André F.; Sousa, Sérgio F.; Cerqueira, Nuno M. F. S. A.. "Pyridoxine/pyridoxamine 5'-phosphate oxidase: a computational study". Paper presented in 7º Encontro de Jovens Investigadores de Biologia Computacional Estrutural, 2019.
  3. Pina, André F.; Sousa, Sérgio F.; Cerqueira, Nuno M. F. S. A.. "Application of molecular dynamics simulations in the study of the PLP synthase macrocomplex". Paper presented in BImBS 2019 – BioInformatics meets BioSimulations in protein and DNA studies: from theory to practice, 2019.
  4. Pina, André; Sousa, Sérgio F.; Cerqueira, Nuno M. F. S. A.. "Application of QM/MM Methods in the Study of PNPOx". Paper presented in 6º Encontro de Jovens Investigadores de Biologia Computacional Estrutural (EJIBCE), 2018.
  5. Pina, André F; Sousa, Sérgio F.; Cerqueira, Nuno M. F. S. A.. "Computational studies addressed to the catalytic mechanism of PNPOx". Paper presented in UCIBIO Annual Meeting (Lisbon, Portugal), 2018.
  6. Teixeira, Carla S. S.; Sousa, Sérgio F.; Ramos, M. J.; Cerqueira, Nuno M. F. S. A.. "Computational studies addressed to the catalytic mechanism of Tryptophan Synthase. An emergent target for the treatment of tuberculosis". Paper presented in UCIBIO Annual Meeting (Lisbon, Portugal), 2018.
  7. Carla S. Francisco; Rodrigues, Ligia R.; Cerqueira, Nuno M. F. S. A.; Ana M.F. Oliveira-Campos; Esteves, Ana P.; Lígia M. Rodrigues. ""Synthesis of novel psoralen analogues derived from 7-hydroxy-4-methylcoumarin". Paper presented in 3rd National Meeting on Medicinal Chemistry, 2012.
Journal article
  1. Fernandes, Henrique S.; Teixeira, Carla S. Silva; Sousa, Sérgio F.; Cerqueira, Nuno M. F. S. A.; Silva Teixeira, Carla S.; Sousa, Sergio F.. "Formation of Unstable and very Reactive Chemical Species Catalyzed by Metalloenzymes: A Mechanistic Overview". Molecules 24 13 (2019): 2462. http://dx.doi.org/10.3390/molecules24132462.
    10.3390/molecules24132462
  2. Fernandes, Henrique S.; Ramos, Maria João; Cerqueira, Nuno M. F. S. A.; Ramos, Maria Joao. "Catalytic Mechanism of the Serine Hydroxymethyltransferase: A Computational ONIOM QM/MM Study". ACS Catalysis 8 11 (2018): 10096-10110. http://dx.doi.org/10.1021/acscatal.8b02321.
    10.1021/acscatal.8b02321
  3. Paiva, Pedro; Costa, Inês P. D.; Ferreira, Cleide E.; Ferreira, Pedro; Pereira, Andreia T.; Cerqueira, Nuno M. F. S. A.; Fernandes, Pedro A.; Ramos, Maria J.. "Studies on neuraminidase inhibition". International Journal of Quantum Chemistry 118 9 (2018): e25592. http://dx.doi.org/10.1002/qua.25592.
    10.1002/qua.25592