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Arménio Jorge Moura Barbosa. Completed the Doutoramento in Multiscale Modelling, Computational Simulations and Characterization in Material and Life Sciences in 2010 by Università degli Studi di Modena e Reggio Emilia, Licenciatura in Licenciatura em Bioquímica in 2006 by Universidade do Porto Faculdade de Ciências, Dottorato di Ricerca in Multiscale Modeling School for Material and Life Sciences in 2010/03/08 by Universidade do Porto and Dottorato di Ricerca in Multiscale Modeling School for Material and Life Sciences in 2010/03/08 by Università degli Studi di Modena e Reggio Emilia. Is Contracted Researcher in Universidade Nova de Lisboa Departamento de Química, Researcher in UCIBIO - Applied Molecular Biosciences Unit, Faculdade de Ciências e Tecnologia - Universidade Nova de Lisboa and Researcher in Institute for Health and Bioeconomy i4HB, Associated Laboratory. Published 21 articles in journals. Has 1 section(s) of books. Has 1 patent(s) registered. Organized 7 event(s). Participated in 31 event(s). Co-supervised 2 PhD thesis(es). Supervised 1 MSc dissertation(s) e co-supervised 1. Supervised 3 work(s) of course completion of LSc/BSc e co-supervised 2. Has received 3 awards and/or honors. Participates and/or participated as PhD Student Fellow in 1 project(s), Post-doc Fellow in 2 project(s), Research Fellow in 2 project(s) and Researcher in 4 project(s). Works in the area(s) of Medical and Health Sciences with emphasis on Basic Medicine with emphasis on Medicinal Chemistry, Exact Sciences with emphasis on Chemical Sciences, Exact Sciences with emphasis on Computer and Information Sciences with emphasis on Bioinformatics, Engineering and Technology with emphasis on Industrial Biotechnology with emphasis on Bioproducts Biomaterials and Engineering and Technology with emphasis on Industrial Biotechnology with emphasis on Bioprocessing Technologies. In their professional activities interacted with 173 collaborator(s) co-authorship of scientific papers. In his curriculum Ciência Vitae the most frequent terms in the context of scientific, technological and artistic-cultural output are: ADP-ribosyltransferase; ARTD; ARTC; post-translational modification; mono-ADP-ribosylation; poly-ADP-ribosylpolymerase; PARP; NAD-glycohydrolase; NAD; ARF6; protein-protein docking; Computational chemistry; molecular modeling; Homology protein modeling; Molecular Dynamics Simulations; High-Throughput Virtual Screening; Molecular Docking; Computational Alanine-Scanning; Free-Energy Calculations; Biomaterials; Peptide; hydrogels; Cancer; Chemical Database; Pharmacophore Screening; Epigenetics; Cheminformatics; Enzyme Design; Enzyme Evolution; Biocatalysis; Protein Engineering; Biosensing; Odorant Binding Protein; VOCs; Volatile Organic Compound; Diagnostics; Compound database; Chemical library; Chemoinformatics; renal cancer; e-nose; Mass Spectroscopy; urine; affinity interactions; physical hydrogels; protein materials; self-assembly; WW domains; protein sequences; genetic sequences; sequence alignments; transcriptomics; affinity ligands; Basic Chemistry; Introduction to chemistry Laboratory; Organic Chemistry; Quantum Mechanics; Protein Design; Affinity; Chromatography; SARS-CoV-2; SpikeACE2; Affinity ligands; de novo design; .
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Identification

Personal identification

Full name
Arménio Jorge Moura Barbosa

Citation names

  • Moura Barbosa, Arménio J.
  • Barbosa, A.J.M.
  • Moura Barbosa, A.J.
  • Barbosa, AJM
  • Moura Barbosa, AJ

Author identifiers

Ciência ID
6A11-E765-5D6E
ORCID iD
0000-0002-9756-4958
Google Scholar ID
oayolkEAAAAJ&hl
Researcher Id
O-2456-2015

Knowledge fields

  • Medical and Health Sciences - Basic Medicine - Medicinal Chemistry
  • Exact Sciences - Chemical Sciences
  • Exact Sciences - Computer and Information Sciences - Bioinformatics
  • Engineering and Technology - Industrial Biotechnology - Bioproducts Biomaterials
  • Engineering and Technology - Industrial Biotechnology - Bioprocessing Technologies

Languages

Language Speaking Reading Writing Listening Peer-review
Portuguese Advanced (C1) Advanced (C1) Advanced (C1) Advanced (C1)
English Advanced (C1) Advanced (C1) Advanced (C1) Advanced (C1)
Italian Advanced (C1) Advanced (C1) Advanced (C1) Advanced (C1)
French Beginner (A1) Intermediate (B1) Beginner (A1) Beginner (A1)
Spanish; Castilian Beginner (A1) Intermediate (B1) Beginner (A1) Beginner (A1)
Education
Degree Classification
2010/03/08
Concluded
 Multiscale Modelling, Computational Simulations and Characterization in Material and Life Sciences (Doutoramento)
Università degli Studi di Modena e Reggio Emilia, Italy
"Computational studies of the 5-HT3 receptor: molecular determinants for ligand binding" (THESIS/DISSERTATION)
2006
Concluded
 Licenciatura em Bioquímica (Licenciatura)
Universidade do Porto Faculdade de Ciências, Portugal
"Computational analysis of Cu-site loop-elongation in blue copper proteins: influence on the protein physico-chemical properties" (THESIS/DISSERTATION)
 14
Affiliation

Science

Category
Host institution 		Employer
2021/02/24 - Current Researcher (Research) Institute for Health and Bioeconomy i4HB, Associated Laboratory, Portugal
Universidade Nova de Lisboa, Portugal
2018/12/19 - Current Contracted Researcher (Research) Universidade Nova de Lisboa Departamento de Química, Portugal
UCIBIO - Applied Molecular Biosciences Unit, Faculdade de Ciências e Tecnologia - Universidade Nova de Lisboa, Portugal
2015/01/15 - Current Researcher (Research) UCIBIO - Applied Molecular Biosciences Unit, Faculdade de Ciências e Tecnologia - Universidade Nova de Lisboa, Portugal
UCIBIO - Applied Molecular Biosciences Unit, Faculdade de Ciências e Tecnologia - Universidade Nova de Lisboa, Portugal
2016/08/01 - 2018/12/19 Postdoc (Research) UCIBIO - Applied Molecular Biosciences Unit, Faculdade de Ciências e Tecnologia - Universidade Nova de Lisboa, Portugal
2015/01/13 - 2016/07/12 Postdoc (Research) UCIBIO - Applied Molecular Biosciences Unit, Faculdade de Ciências e Tecnologia - Universidade Nova de Lisboa, Portugal
2011/06/01 - 2014/05/31 Postdoc (Research) Università degli Studi di Bologna Dipartimento di Medicina Specialistica Diagnostica e Sperimentale, Italy
2010/04/01 - 2011/03/31 Postdoc (Research) Università degli Studi di Modena e Reggio Emilia, Italy
2006/02 - 2006/07 Research Trainee (Research) Università degli Studi di Modena e Reggio Emilia, Italy

Others

Category
Host institution 		Employer
2007/01/01 - 2009/12/31 PhD research project: "Computational studies of the 5-HT3 receptor: molecular determinants for ligand binding". Università degli Studi di Modena e Reggio Emilia Dipartimento di Scienze Chimiche e Geologiche, Italy
2009/07/01 - 2009/11/30 Visiting PhD student - Hosted by prof. Maria Joao Ramos at the Theoretical and Computational Biochemistry Research Group “Application of MM-PBSA and Computational Alanine Scanning Mutagenesis in the S Universidade do Porto Faculdade de Ciências, Portugal
Projects

Grant

Designation Funders
2024/07/01 - Current UNMASK - Unraveling Parkinson's disease diagnosis
ERC-POC
Researcher
European Research Council
Ongoing
2024/01/01 - Current PROSPLIGN - Prospecting natural lignin biodiversity towards unlocking value-added bioactive motifs and molecules
101135298
Researcher
Universidade NOVA de Lisboa Faculdade de Ciências e Tecnologia, Portugal
 European Commission
Ongoing
2022/09/01 - Current HfPT - Health from Portugal
HfPT
Researcher
Universidade Nova de Lisboa Departamento de Química, Portugal
 Agência para a Competitividade e Inovação IP
Ongoing
2022/01 - Current PROTEIOS - Protein Materials for non-invasive wound sensoring
PTDC/CTM-CTM/6101/2020
Researcher
Universidade Nova de Lisboa Faculdade de Ciências e Tecnologia, Portugal
Ongoing
2019/01/01 - Current Unidade de Ciências Biomoleculares Aplicadas
UID/Multi/04378/2019
Researcher
UCIBIO - Applied Molecular Biosciences Unit, Faculdade de Ciências e Tecnologia - Universidade Nova de Lisboa, Portugal
 Fundação para a Ciência e a Tecnologia
Ongoing
2024/02/01 - 2025/01/31 SpikeLig: Affinity ligands towards the SARS-CoV-2 spike protein
2023.10436.CPCA.A1
Principal investigator
Fundacao de Computacao Cientifica Nacional, Portugal
 Rede Nacional de Computação Avançada
Ongoing
2020/10/28 - 2024/09 PURE - Precisely Patterned Nanofibers for High Performance Bioseparations
899732
Researcher
Universität Bayreuth Lehrstuhl für Funktionsmaterialien, Germany

Universität für Bodenkultur Department für Biotechnologie, Austria

Universidade NOVA de Lisboa Faculdade de Ciências e Tecnologia, Portugal

Instituto de Biologia Experimental e Tecnológica, Portugal

Universidade Nova de Lisboa, Portugal
European Union

EU Framework Programme for Research and Innovation Future and Emerging Technologies
Ongoing
2023/03/21 - 2023/09/21 BioM2D: BioMaterials Molecular Dynamics for biopharmaceutical purification
2022.15912.CPCA
Principal investigator
Universidade Nova de Lisboa Departamento de Química, Portugal

UCIBIO - Applied Molecular Biosciences Unit, Faculdade de Ciências e Tecnologia - Universidade Nova de Lisboa, Portugal
Fundação para a Ciência e a Tecnologia
Concluded
2018/07 - 2021/06 Bio-inspired materials for fish spoilage control
PTDC/BII-BIO/28878/2017
Research Fellow
Fundação para a Ciência e a Tecnologia
2019 - 2021 ACCuseD renAl Cell Carcinoma Detection Renal Cancer detection
30388
Researcher
UCIBIO - Applied Molecular Biosciences Unit, Faculdade de Ciências e Tecnologia - Universidade Nova de Lisboa, Portugal
 Fundação para a Ciência e a Tecnologia
Ongoing
2016 - 2017 UNnaturalGels: Tunable Peptide Hydrogels incorporating non-canonical amino acids
UNnaturalGels
Researcher
REQUIMTE Unidade de Ciências Biomoleculares Aplicadas, Portugal
 REQUIMTE Unidade de Ciências Biomoleculares Aplicadas
Concluded

Contract

Designation Funders
2021/01/01 - 2025/12/31 Institute for Health and Bioeconomy
LA/P/0140/2020
10.54499/LA/P/0140/2020
Universidade de Lisboa Instituto de Bioengenharia e Biociências, Portugal

Rede de Química e Tecnologia Laboratório Associado para a Química Verde, Portugal

Unidade de Ciências Biomoleculares Aplicadas, Portugal

Associação para a Inovação e Desenvolvimento da FCT, Portugal

Associação do Instituto Superior Técnico para a Investigação e Desenvolvimento, Portugal

INESC Microsistemas e Nanotecnologias, Portugal

Universidade NOVA de Lisboa, Portugal
Fundação para a Ciência e a Tecnologia
Ongoing
2021/01/01 - 2025/12/31 Institute for Health and Bioeconomy
LA/P/0140/2020
10.54499/LA/P/0140/2020
Researcher
Associação do Instituto Superior Técnico para a Investigação e Desenvolvimento, Portugal

Universidade de Lisboa Instituto de Bioengenharia e Biociências, Portugal

Universidade NOVA de Lisboa, Portugal

INESC Microsistemas e Nanotecnologias, Portugal

Rede de Química e Tecnologia Laboratório Associado para a Química Verde, Portugal

Associação para a Inovação e Desenvolvimento da FCT, Portugal

Unidade de Ciências Biomoleculares Aplicadas, Portugal
Fundação para a Ciência e a Tecnologia
Ongoing
2020/01/01 - 2023/12/31 Applied Molecular Biosciences Unit
UIDB/04378/2020
10.54499/UIDB/04378/2020
UIDP/04378/2020
10.54499/UIDP/04378/2020
Researcher
Universidade NOVA de Lisboa, Portugal

Unidade de Ciências Biomoleculares Aplicadas, Portugal

Rede de Química e Tecnologia Laboratório Associado para a Química Verde, Portugal

Associação para a Inovação e Desenvolvimento da FCT, Portugal

Universidade do Porto Instituto de Ciências Tecnologias e Agroambiente, Portugal

Universidade do Porto, Portugal
Fundação para a Ciência e a Tecnologia
Concluded
2020/01/01 - 2023/12/31 Applied Molecular Biosciences Unit
UIDP/04378/2020
10.54499/UIDP/04378/2020
Researcher
Universidade NOVA de Lisboa, Portugal

Unidade de Ciências Biomoleculares Aplicadas, Portugal

Rede de Química e Tecnologia Laboratório Associado para a Química Verde, Portugal

Associação para a Inovação e Desenvolvimento da FCT, Portugal

Universidade do Porto Instituto de Ciências Tecnologias e Agroambiente, Portugal

Universidade do Porto, Portugal
Fundação para a Ciência e a Tecnologia
Concluded
2016/08 - 2018/12/19 Development of Peptides for Cancer Diagnostics
SFRH/BPD/112543/2015
Post-doc Fellow
UCIBIO - Applied Molecular Biosciences Unit, Faculdade de Ciências e Tecnologia - Universidade Nova de Lisboa, Portugal
 Fundação para a Ciência e a Tecnologia
Concluded
2015/01/15 - 2016/07/14 CHImerASE – “Integrated platform for de novo design and development of a chimeric enzyme for high-value chemicals"
ERA-IB-2/0001/2013
Post-doc Fellow
UCIBIO - Applied Molecular Biosciences Unit, Faculdade de Ciências e Tecnologia - Universidade Nova de Lisboa, Portugal
 Fundação para a Ciência e a Tecnologia
2011/06/01 - 2014/05/31 Computational modelling and in vitro tests for the identification of chemical compounds with antitumoral activity to biological oncogenic targets
Start-up grant
Research Fellow
Università degli Studi di Bologna Dipartimento di Medicina Specialistica Diagnostica e Sperimentale, Italy
 Fondazione Italiana per la Ricerca sul Cancro Airc
Concluded
2010/04 - 2011/03 Drug Discovery and High-throughput virtual screenings on compound libraries targeting Nuclear Receptors for anti-cancer therapy
Start-Up AIRC
Start-Up ¿ AIRC
Research Fellow
Università degli Studi di Modena e Reggio Emilia Dipartimento di Scienze della Vita, Italy
 Fondazione AIRC per la Ricerca sul Cancro
Concluded
2006/01/01 - 2009/12/31 Computational studies of the 5-HT3 Receptor: molecular determinants for ligand binding
101534159
PhD Student Fellow
Università degli Studi di Modena e Reggio Emilia Dipartimento di Scienze Chimiche e Geologiche, Italy
 Ministero dell'Istruzione dell'Università e della Ricerca
Concluded
Outputs

Publications

Book chapter
  1. Carvalho, Henrique F.; Barbosa, Arménio J. M.; Roque, Ana C. A.; Iranzo, Olga; Branco, Ricardo J. F.. "Integration of Molecular Dynamics Based Predictions into the Optimization of De Novo Protein Designs: Limitations and Benefits". edited by Samish, Ilan, 181-201. 2017.
    10.1007/978-1-4939-6637-0_8
Conference poster
  1. Lychko, Iana; Lopes Soares, Cátia; Inês Padrão; Calmeiro, Tomás; Moura Barbosa, Arménio J.; Pedro Costa; Ana MGC Dias; et al. "Optimized production of reflectins and characterization of their reversible self-assembly. Microbiotec 2023, 7th-9th December 2023, Covilhã, Portugal". Paper presented in Microbiotec 2023, 2023.
  2. Lychko, Iana; Soares, CL; Barbosa, AJM; Dias, Ana; Roque, ACA; Calmeiro, Tomás. "Dynamic Self- Assembly Characterization of Reflectins". Paper presented in Affinity 2023, 2023.
  3. Barbosa, A.J.M.; Arianna Nurrito; Ana Margarida Dias; Soares, Cátia; Lychko, Iana; Roque, ACA. "Modeling studies of reflectin de novo peptide assembly". Paper presented in 15th National Physical Chemistry Meeting (15ENQF) and 4th Computational Chemistry Symposium, 2023.
  4. Carlos Costa; Barbosa, A.J.M.; Ana Margarida Dias; Roque, ACA; Moura Barbosa, Arménio J.. "Affinity reagents towards the SARS-CoV-2 spike protein". Paper presented in BPP2022 Biopartitioning & Purification Conference, 2022.
  5. Costa, Carlos; Moura Barbosa, Arménio J.; Ana Margarida Dias; Roque, Ana. Corresponding author: Roque, Ana. "Structural analysis of protein and peptide ligands of the SARS-CoV-2 spike protein". Paper presented in Affinity 2021, 2022.
  6. Barbosa, A.J.M.; Arianna Nurrito; Soares, Cátia; Lychko, Iana; Ana Margarida Dias; Ana Cecília Afonso Roque. "Molecular Dynamics Simulations of Reflectin-based peptides". Paper presented in Biophysics Festival 2022, 2022.
  7. Barbosa, A.J.M.; Arianna Nurrito; Soares, Cátia; Lychko, Iana; Ana Margarida Dias; Ana Cecília Afonso Roque. "Molecular dynamics studies on the assembly of reflectin-based peptides". Paper presented in CCG UGM & Conference 2022 Europe, 2022.
  8. Pina, Ana Sofia; Morgado, Leonor; Duncan KL; Carvalho S; Barbosa, AJM; Roque, ACA; Ulijn RV. "Discovery of phosphotyrosine-binding oligopeptide with supramolecular target selectivity". Paper presented in Beyond Biology 2021 - EMBO international virtual workshop, 2021.
  9. Ana Margarida Dias; Moreira I; Lychko, Iana; Nurrito A; Barbosa, AJM; Bueno-Lutz V; Mezzenga R; et al. "Reflectin derived peptide – highlights on its self-assembly into soft materials". Paper presented in Beyond Biology 2021 - EMBO international virtual workshop, 2021.
  10. Teixeira, Gonçalo D. G.; Moro, Artur J.; Lima JC; Barbosa, AJM; Roque, ACA. "Protein-based gas sensing materials for VOC sensing". Paper presented in Biosensors 2021, 2021.
  11. Teixeira GDG; Calvário JRS; Roque, ACA; Barbosa, AJM. Corresponding author: Barbosa, AJM. "Structural analysis of Odorant-Binding Proteins for gas sensing". Paper presented in International Society of Quantum Biology and Pharmacology (ISQBP) 2021, 2021.
  12. Teixeira, Gonçalo D. G.; Calvário JRS; Moro AJ; Lima JC; Roque, ACA; Barbosa, AJM. "Rational selection of odorant-binding proteins for gas sensing applications". Paper presented in Affinity 2021, 2021.
  13. Costa C; Barbosa, AJM; Dias AM; Roque, ACA. Corresponding author: Roque, ACA. "Proteins and peptides binding to the SARS-CoV-2 spike protein – a structural analysis of binding sites". Paper presented in Affinity 2021, 2021.
  14. Barbosa, A.J.M.; Kamiki, J; Roque, ACA. "Marine Natural Products as new anti Acute Myeloid Leukemia drugs". Paper presented in 7º Encontro de Jovens Investigadores de Biologia Computacional Estrutura, 2019.
  15. Barbosa, A.J.M.; Roque, ACA; Kamiki, J. "Computer-Aided Discovery of New Anti-Leukemic Epigenetic Drugs Based on Free-Access Marine Compound Libraries". Paper presented in XVI International Symposium on Marine Natural Products|XI European Conference on Marine Natural Products, 2019.
  16. Moura Barbosa, Arménio J.; Fernandes, CSM; Pina, AS; Dias, A.M.G.C.; Roque, ACA. "Affinity triggered hydrogels with tunable properties". Paper presented in IUPAC, 2019.
  17. Moura Barbosa, Arménio J.; Teixeira, Gonçalo D. G.; Lychko, Iana; Roque, ACA. "A database of the molecular recognition from odorant-binding proteins". Paper presented in Affinity 2019, 2019.
  18. Moura Barbosa, Arménio J.; Saraiva, J; Lychko, I; Roque, Ana C. A.. "Unraveling selectivity of odorant-binding proteins towards distinct families of odors". Paper presented in 12th European Symposium on Biochemical Engineering, September 2018, Lisbon, Portugal, 2018.
  19. Barbosa, A.J.M.; Gruber, C.; Roque, ACA; Branco, RJF; Moura Barbosa, Arménio J.; Roque, Ana C. A.; Branco, Ricardo J. F.. "Improving Enzyme Design with simple structural descriptors". Paper presented in EJIBCE 2016, 2016.
  20. Moura Barbosa, Arménio J.; Gruber, C.; Sattler, J.; Roque, Ana C. A.; Branco, Ricardo J. F.. "New chemical functions on enzymes with computational de novo protein design". Paper presented in 6th European Conference of Chemistry for Life Sciences, EuChem, 2015.
  21. Moura Barbosa, Arménio J.; Rocchi L; Montanaro L; Del Rio, A.. "Inhibition of human dyskerin as a new approach to target ribosome biogenesis". Paper presented in ACS National Meeting, August 2014, San Francisco, USA, 2014.
  22. Moura Barbosa, Arménio J.; Peserico A; Germani A; Di Virgilio V; Simone C; Del Rio, A.. "Histone Methyltransferases in colorectal tumourigenesis - Targeting SMYD3". Paper presented in RICT 2013, July 2013, Nice, France, 2013.
  23. Moura Barbosa, Arménio J.; Rocchi L; Montanaro L; Del Rio, A.. "Targeting the ribosome biogenesis with inhibitors of Dyskerin pseudouridylation activity". Paper presented in RICT 2013, July 2013, Nice, France, 2013.
  24. Moura Barbosa, Arménio J.; Peserico A; Germani A; Di Virgilio V; Simone C; Del Rio, A.. "Structure-based targeting of SMYD3: an histone methyltransferase involved in colorectal tumourigenesis". Paper presented in ACS National Meeting, March 2013, New Orleans, USA, 2013.
  25. Moura Barbosa, Arménio J.; Peserico A; Germani A; Di Virgilio V; Sanese P; Varchi G; Simone C; Del Rio, A.. "Discovery of SMYD3 inhibitors: a novel class of anticancer drugs". Paper presented in Epicongress, December 2013, London, UK, 2013.
  26. Moura Barbosa, Arménio J.; Caporuscio, F.; Mangiatordi GF; Rastelli, G.; Del Rio, A.. "CoCoCo: a freely available multiconformational database of commercial compounds for HTVS purposes. Application to the FXR nuclear receptor". Paper presented in 2nd Strasbourg School on Chemoinformatics, June 2010, Obernai, France, 2010.
  27. Moura Barbosa, Arménio J.; De Rienzo F; Menziani MC. "Computational analysis of the Binding modes of Palonosetron into the 5-HT3Rs". Paper presented in XXIII Congresso Nazionale della Società Chimica Italiana, July 2009, Sorrento, Italy, 2009.
  28. Moura Barbosa, Arménio J.; De Rienzo F; Ramos MJ; Menziani MC. "Lead optimization of 5- HT3 Receptor antagonists in receptor binding – Palonosetron". Paper presented in 37th National Congress of Physical Chemistry, 2008.
  29. Moura Barbosa, Arménio J.; De Rienzo F; Menziani MC. "Computational Modelling of 5-HT3 Receptor antagonists in receptor binding". Paper presented in Computational Molecular Science 2008, UK, 2008.
  30. Moura Barbosa, Arménio J.; T.A. Rodrigues; Ramos MJ; Sola, M.; De Rienzo F; Menziani MC. "Computational analysis of Cu-site loop-elongation in blue copper proteins: influence on the protein physico-chemical and structural properties". Paper presented in XXII Congresso Nazionale della Società Chimica Italiana, Settembre 2006, Firenze, Italy, 2006.
  31. Moura Barbosa, Arménio J.; Fernandes PA; Ramos MJ. "Lead Optimization: Improving the Activity of the anti –HIV Antiretrovirals Nelfinavir and Amprenavir". Paper presented in XIIth International Congress of Quantum Chemistry, May 2006, Kyoto, Japan, 2006.
Journal article
  1. Teixeira, Gonçalo D.G.; Esteves, Carina; Moro, Artur J.; Lima, João C.; Barbosa, Arménio J.M.; Roque, Ana Cecília A.. Corresponding author: Barbosa, Arménio J.M.. "An odorant-binding protein based electrical sensor to detect volatile organic compounds". Sensors and Actuators B: Chemical (2024): 135726. http://dx.doi.org/10.1016/j.snb.2024.135726.
    10.1016/j.snb.2024.135726
  2. Ana Margarida Dias; Moreira, Inês P.; Lychko, Iana; Soares, Cátia; Arianna Nurrito; Moura Barbosa, Arménio J.; Viviane Lutz-Bueno; et al. "Hierarchical self-assembly of a reflectin-derived peptide". Frontiers in Chemistry - Sec. Supramolecular Chemistry 11 (2023): https://www.frontiersin.org/articles/10.3389/fchem.2023.1267563/abstract.
    Accepted • 10.3389/fchem.2023.1267563
  3. Oliveira, Ana Rita; Ramou, Efthymia; Palma, Susana I. C. J.; Esteves, Carina; Barbosa, A.J.M.; Roque, Ana Cecília Afonso. Corresponding author: Roque, Ana Cecília Afonso. "Impact of the Cationic Moiety of Ionic Liquids on Chemoselective Artificial Olfaction". ACS Materials Au (2023): http://dx.doi.org/10.1021/acsmaterialsau.3c00042.
    10.1021/acsmaterialsau.3c00042
  4. Carlos Filipe Santos Costa; Arménio Moura Barbosa; Ana Margarida Gonçalves Carvalho Dias; Roque, A.C.A.. "Native, engineered and de novo designed ligands targeting the SARS-CoV-2 spike protein". Biotechnology Advances (2022): https://novaresearch.unl.pt/en/publications/872fb8ab-9479-4fe5-841f-550f97eb4bae.
    10.1016/j.biotechadv.2022.107986
  5. Ana S. Pina; Leonor Morgado; Krystyna L. Duncan; Sara Carvalho; Henrique F. Carvalho; Arménio J. M. Barbosa; Beatriz de P. Mariz; et al. "Discovery of phosphotyrosine-binding oligopeptides with supramolecular target selectivity". Chemical Science (2022): https://doi.org/10.1039/D1SC04420F.
    10.1039/D1SC04420F
  6. M J B, Matos; F, Trovão; J, Gonçalves; U, Rothbauer; M G, Freire; A M J B, Barbosa; A S, Pina; A C A, Roque. "A purification platform for antibodies and derived fragments using a de novo designed affinity adsorbent". Separation and Purification Technology (2021): 118476. http://dx.doi.org/10.1016/j.seppur.2021.118476.
    In press • 10.1016/j.seppur.2021.118476
  7. Carina Esteves; Efthymia Ramou; Ana Raquel Pina Porteira; Arménio Jorge Moura Barbosa; Ana Cecília Afonso Roque. "Seeing the Unseen: The Role of Liquid Crystals in Gas-Sensing Technologies". Advanced Optical Materials (2020): https://doi.org/10.1002/adom.201902117.
    10.1002/adom.201902117
  8. Arménio J. M. Barbosa; Ana C. A. Roque. "Free Marine Natural Products Databases for Biotechnology and Bioengineering". Biotechnology Journal (2019): 1800607-1800607. https://doi.org/10.1002/biot.201800607.
    10.1002/biot.201800607
  9. Cláudia S. M. Fernandes; Ana Pina; Arménio Moura Barbosa; Inês Padrão; Filipa Duarte; Cátia A. S. Teixeira; Vítor Alves; et al. "Affinity-Triggered Assemblies Based on a Designed Peptide–Peptide Affinity Pair". Biotechnology Journal 14 11 (2019): https://novaresearch.unl.pt/en/publications/e0e26e94-246f-42a7-a495-17d89a1f2e79.
    10.1002/biot.201800559
  10. dos Santos, Raquel; Figueiredo, Carina; Viecinski, Aline Canani; Pina, Ana Sofia; Barbosa, Arménio J.M.; Roque, A. Cecília A.. "Designed affinity ligands to capture human serum albumin". Journal of Chromatography A 1583 (2019): 88-97. http://dx.doi.org/10.1016/j.chroma.2018.11.021.
    10.1016/j.chroma.2018.11.021
  11. Antonella Giancristofaro; Arménio Moura Barbosa; Alessandra Ammazzalorso; Pasquale Amoia; Barbara De Filippis; Marialuigia Fantacuzzi; Letizia Giampietro; et al. "Discovery of new FXR agonists based on 6-ECDCA binding properties by virtual screening and molecular docking". MedChemComm 9 10 (2018): 1630-1638. https://unl.elsevierpure.com/en/publications/e9e892b4-a981-41b2-a268-a63e70c9529d.
    10.1039/c8md00272j
  12. Barbosa, Arménio. "Protein- and Peptide-Based Biosensors in Artificial Olfaction". Trends in Biotechnology (2018): https://www.cell.com/trends/biotechnology/fulltext/S0167-7799(18)30195-1.
    10.1016/j.tibtech.2018.07.004
  13. Peserico A; Germani A; Sanese P; Barbosa AJ; Di Virgilio V; Fittipaldi R; Fabini E; et al. "A SMYD3 Small-Molecule Inhibitor Impairing Cancer Cell Growth.". (2015): http://europepmc.org/abstract/med/25728514.
    10.1002/jcp.24975
  14. Rocchi L; Barbosa AJ; Onofrillo C; Del Rio A; Montanaro L. "Inhibition of human dyskerin as a new approach to target ribosome biogenesis.". (2014): http://europepmc.org/abstract/med/25010840.
    10.1371/journal.pone.0101971
  15. Dani N; Barbosa AJ; Del Rio A; Di Girolamo M; Nadia Dani; Arménio Moura Barbosa; Alberto Del Rio; Maria Di Girolamo. "ADP-ribosylated proteins as old and new drug targets for anticancer therapy: the example of ARF6.". Current Pharmaceutical Design 19 4 (2013): 624-633. http://europepmc.org/abstract/med/23016858.
    10.2174/138161213804581882
  16. Andreoli F; Barbosa AJ; Parenti MD; Del Rio A. "Modulation of epigenetic targets for anticancer therapy: clinicopathological relevance, structural data and drug discovery perspectives.". (2013): http://europepmc.org/abstract/med/23016851.
    10.2174/138161213804581918
  17. Sanders MP; Barbosa AJ; Zarzycka B; Nicolaes GA; Klomp JP; de Vlieg J; Del Rio A. "Comparative analysis of pharmacophore screening tools.". (2012): http://europepmc.org/abstract/med/22646988.
    10.1021/ci2005274
  18. Moura Barbosa AJ; Del Rio A. "Freely accessible databases of commercial compounds for high- throughput virtual screenings.". (2012): http://europepmc.org/abstract/med/22352914.
    10.2174/156802612800166710
  19. De Rienzo F; Barbosa AJ; Perez MA; Fernandes PA; Ramos MJ; Menziani MC. "The extracellular subunit interface of the 5-HT3 receptors: a computational alanine scanning mutagenesis study.". (2012): http://europepmc.org/abstract/med/22694192.
    10.1080/07391102.2012.680029
  20. A Del Rio; AJM Barbosa; F Caporuscio; Del Rio, A.; Barbosa, A.J.M.; Caporuscio, F.; Del Rio A; Barbosa A; Caporuscio F. "Use of large multiconformational databases with structure-based pharmacophore models for fast screening of commercial compound collections". Journal of Cheminformatics 3 Suppl 1 (2011): P27-P27. http://dx.doi.org/10.1186/1758-2946-3-s1-p27.
    10.1186/1758-2946-3-s1-p27
  21. Moura Barbosa AJ; De Rienzo F; Ramos MJ; Menziani MC. "Computational analysis of ligand recognition sites of homo- and heteropentameric 5-HT3 receptors.". (2010): http://europepmc.org/abstract/med/20724042.
    10.1016/j.ejmech.2010.07.039
  22. Del Rio A; Barbosa AJ; Caporuscio F; Mangiatordi GF. "CoCoCo: a free suite of multiconformational chemical databases for high-throughput virtual screening purposes.". (2010): http://europepmc.org/abstract/med/20694263.
    10.1039/c0mb00039f
  23. P. Fernandes; M.L. Araujo; A. Barbosa; C. Alves; Z. Ferreira; C. R.-N. Gonzalez; C.F. C. Lima; et al. "Lead Optimisation: Improving the Affinity of the Antiretrovirals Nelfinavir and Amprenavir for HIV-1 Protease". LDDD 3 6 (2006): 383-389. http://dx.doi.org/10.2174/157018006777805576.
    10.2174/157018006777805576
Preprint
  1. Dias, Ana; Moreira, Inês Pimentel; Lychko, Iana; Nurrito, Arianna; Barbosa, A.J.M.; Lutz-Bueno, Viviane; Mezzenga, Raffaele; et al. Corresponding author: Roque, Ana Cecília Afonso. "Hierarchical Self-Assembly of the Reflectin-Derived Protopeptide". 2023. http://dx.doi.org/10.2139/ssrn.4406145.
    10.2139/ssrn.4406145
Website
  1. Barbosa, A.J.M.. Website - PURE project cloud. 2020. https://pure-fetopen.eu/.
  2. Barbosa, A.J.M.. Website - PURE Sustainable Bioseparations. 2020. https://pure-fetopen.eu/.

Intellectual property

Patent
  1. Barbosa, Arménio. 2014. "“Composti piperidinoacetanilidici con attività inibente le metiltransferasi istoniche” (Piperidinoacetanilidic compounds with inhibitory activity towards histonic Methyltransferases).". Italy.

Other

Dataset
  1. Moura Barbosa, Arménio J.. CoCoCo - Commercial Compound Collection,2010. Italy.
  2. Costa C; Barbosa, AJM; Dias AMGC; Roque, ACA. List of the structures of S-protein in complex with ligands deposited in the Protein Data Bank until the 1st January 2021.. https://doi.org/10.5281/zenodo.5503854.
    10.5281/zenodo.5503854
  3. Costa C; Barbosa, AJM; Dias AM; Roque, ACA. Structures of S-protein in complex with ligands deposited in the PDB between the 1st January 2021 and the 13th May 2021. https://doi.org/10.5281/zenodo.5503910.
    10.5281/zenodo.5503910
Other output
  1. Outreach - ExpoFCT 2023 - Medicinal Chemistry in the Computer (Workshop). Medicinal Chemistry in the Computer (Workshop) Design for high-school students.. 2023. Moura Barbosa, Arménio J.; João Aires de Sousa. https://expo.fct.unl.pt/atividade/simulacao-computacional-da-interacao-entre-um-farmaco-e-uma-proteina/.
  2. Outreach - European Research's Night 2022. " Proteins for a Sustainable Future". 2022. Susana Palma; Moura Barbosa, Arménio J.. https://noitedosinvestigadores.org/.
  3. Pure Project Dissemination and Exploitation Plan. 2021. Barbosa, AJM; Dias AM; Roque, ACA. https://doi.org/10.5281/zenodo.5541380.
    10.5281/zenodo.5541380
  4. Pure Project Data Management Plan. 2021. Barbosa, AJM. https://doi.org/10.5281/zenodo.5503931.
    10.5281/zenodo.5503931
  5. Outreach - European Research's Night 2020 - How to sustainably develop biologic drugs.. The PURE project participated in this event, in Portugal, and created a video with Cecília Roque and Margarida Dias explaining to the general public and younger people how to sustainably develop biologic drugs.. 2020. Barbosa, A.J.M.. https://pure-fetopen.eu/pure-european-researchers-night-pt/.
  6. Outreach - Chemistry Fair - NOVA. Outreach activity to engage chemistry students in research careers. Chemical Fair organised by the students Nucleus of Chemistry. Chemistry Department, University NOVA of Lisbon. 2019. Barbosa, A.J.M.. https://sites.fct.unl.pt/nqa/pages/quimica-sobre-investigacao-2019.
  7. Outreach - European Research's Night 2019 - The scent of science. The European Researchers' Night, funded under the Marie Sklodowska-Curie actions (MSCA), is a Europe-wide public event that brings researchers closer to the public. The Night provides researchers the opportunity to showcase the diversity of science and its impact on citizens’ daily lives, and to stimulate interest in research careers – especially among young people.. 2019. Barbosa, A.J.M.. https://www.requimte.pt/ucibio/news/ucibio-activities-european-researchers-night-2019.
  8. Outreach - NOVA STEAM Academy! - Scientific activities for middle/high school students.. Short course on Computational Medicinal Chemistry. Scientific activities for middle/high school students at the University NOVA of Lisbon.. 2019. Barbosa, A.J.M.. https://arquivo.novasteamacademy.fct.unl.pt/2019/.
  9. Outreach - European Research's Night 2018 - The scent of science. 2018. Barbosa, A.J.M..
  10. Outreach - European Research's Night 2017 - The scent of science. Demonstration on how electronic noses' smell.. 2017. Barbosa, A.J.M.. https://www.dq.fct.unl.pt/noticias/2017/09/departamento-de-quimica-na-noite-europeia-dos-investigadores-2017.
  11. Outreach - ExpoFCT 2017. Open day of the School of science and technology of the University NOVA of Lisbon. Demonstration of protein structures to high-school students.. 2017. Barbosa, A.J.M.. https://www.expo.fct.unl.pt/.
  12. Outreach - European Research's Night 2016 - The scent of science. 2016. Barbosa, A.J.M.. https://www.fct.unl.pt/sites/default/files/documentos/nei-fctnova-actividades.pdf.
  13. Outreach - ExpoFCT 2016. Open day of the School of science and technology of the University NOVA of Lisbon. Demonstration of protein structures to high-school students.. 2016. Barbosa, A.J.M.. https://www.expo.fct.unl.pt/.
  14. Outreach - World Biotech Tour 2015. The World Biotech Tour (WBT) showcased the role of science centers in bringing together key stakeholders to promote understanding of a relevant societal issue: biotechnology. Biotechnology touches our lives every day, no matter where we are in the world. The event involves students, teachers, science center professionals, and the general public.. 2015. Barbosa, A.J.M.. http://www.worldbiotechtour.org/locations/portugal.
  15. Outreach - ExpoFCT 2015. Open day of the School of science and technology of the University NOVA of Lisbon. Demonstration of protein structures to high-school students.. 2015. Barbosa, A.J.M.. https://www.expo.fct.unl.pt/.
  16. Structure-base targeting of SMYD3. An histone methyltransferase involved in colorectal tumorigenesis. 2013. Arménio Moura Barbosa; Alessia Peserico; Cristiano Simone; Alberto Del Rio. https://unl.elsevierpure.com/en/publications/8692b517-9874-4521-af44-bfdcde419a02.
Activities

Oral presentation

Presentation title Event name
Host (Event location)
2023/12/07 A molecular modeling perspective on the development of synthetic affinity ligands Microbiotec 2023
Sociedade Portuguesa de Biotecnologia (UBI, Covilhã, Portugal)
2023/06/07 Peptide ionogels in designed solvents Affinity 2023 - 25th Meeting of the International Society of Molecular Recognition
Universidade NOVA de Lisboa (Lisbon, Portugal)
2023/06/07 Odorant-binding proteins based sensors for Volatile Organic Compounds detection Affinity 2023 - 25th Meeting of the International Society of Molecular Recognition
Universidade NOVA de Lisboa (Lisbon, Portugal)
2023/06/06 Affinity reagents towards SARS-CoV-2 Affinity 2023 - 25th Meeting of the International Society of Molecular Recognition
Universidade NOVA de Lisboa (Lisbon, Portugal)
2023/06/06 Reflectin-derived protopeptide: solvent modulation to promote different supramolecular assembly and materials Affinity 2023 - 25th Meeting of the International Society of Molecular Recognition
Universidade NOVA de Lisboa (Lisbon, Portugal)
2023/06/05 Characterization of dynamic self-assembly of reflectins Affinity 2023 - 25th Meeting of the International Society of Molecular Recognition
Universidade NOVA de Lisboa (Lisbon, Portugal)
2023/06/02 Dynamic Self-Assembly characterization of reflectins Biophysics Festival 2023 - Portuguese Biophysics Society
I3S - Porto (Porto, Portugal)
2023/06/01 Multiscale Modeling in Biophysics: Navigating Techniques for Optimal Application Biophysics Festival 2023 - Portuguese Biophysics Society
I3S - Porto (Porto, Portugal)
2023/03/23 Computational Simulation: Drug-Protein Interaction VIII Bioengineering Week, at Instituto Superior Técnico
Instituto Superior Técnico (Lisbon, Portugal)
2022/12 Design and discovery of affinity ligands i4HB Kick-Off Meeting
Instituto Superior Técnico (Lisbon)
2022/11/14 Design and Discovery of Affinity and Mixed-mode adsorbents PEGS Europe 2022 - 14th Annual Protein and Antibody Engineering Summit
PEGS (Barcelona, Spain)
2022/10/27 Bioseparation and Materials - Introduction to affinity ligands Pure Winter School 2022
University of Bayreuth (Bayreuth, Germany)
2022/09/25 Unraveling odorant-binding proteins manufacturing BPP 2022 - Biopartitioning & Purification Conference
University of Aveiro (Aveiro, Portugal)
2022/03/22 The Versatility of Designed Affinity Ligands in Downstream Processing Bioprocessing Summit Europe
(Barcelona, Spain)
2021/11/07 Molecular Modeling on the Discovery of synthetic affinity-adsorbents 40th ISPPP
International Symposium and exhibition on the Purification of Proteins, Peptides and Polynucleotides (ISPPP) (Porto, Portugal)
2021/09/08 Protopeptide the basic unit of Reflectins: hierarchical self-assembly study in different solvents and materials properties Designer Biology 2021
European Federation of Biotechnology
2021/06/22 Affinity-triggered assemblies for cell differentiation and tissue engineering Affinity 2021
2021/05 Molecular details of de novo designed affinity-adsorbents Mini Modelling Workshop 2021, Recovery Conference Series
Recovery Conference Series
2020/11/09 Tailor made affinity adsorbents for selective capture and recovery PEGS Europe Virtual event
2019/07/31 Multicomponent and functional protein-based materials DesignerBiology 2019
(Newcastle, United Kingdom)
2018/09 Compilation of marine compound libraries for discovery of new anti-leukemic drugs 12th European Symposium on Biochemical Engineering, September, Lisbon, Portugal
ESBES (Lisbon, Portugal)
2018/03 Computational and experimental chemistry, a strong friendship in drug discovery Post-doc Scientific Short Talks @ FCT NOVA
LUPA (Caparica, Portugal)
2016/09 Molecular dynamics for lead candidates’ refinement and rational design Computational Protein Design for Biotech applications - Instruct workshop
UCIBIO (Lisbon, Portugal)
2016/03 Enzyme Design 3rd CHImerASE Project Meeting, BASF SE
BASF SE (Ludwigshafen, Germany)
2016 Enzyme Design 4th CHImerASE Project Meeting
FCT, University NOVA of Lisbon (Caparica, Portugal)
2009/02 Locating Palonosetron in the binding site of the 5-HT3 Receptor Nuove Prospetive in Chimica Farmaceutica III°meeting - workshop
SCI - Italian Chemistry Society (Lucca, Italy)

Supervision

Thesis Title
Role 		Degree Subject (Type)
Institution / Organization
2021/01 - Current Design of Biomolecules targeting SARS-COV2 (PhD)
Co-supervisor of Carlos Costa
 Biotechnology PhD Program (PhD)
Universidade Nova de Lisboa, Portugal
2018 - Current Odorant-binding proteins (OBPs) in gas sensing (PhD)
Co-supervisor of Gonçalo Duarte Gomes Teixeira
 PhD Program in Bioengineering Systems (MIT Portugal) (PhD)
Universidade Nova de Lisboa, Portugal
2023 - 2024 Computational Modeling of Biopharmaceuticals Purification Systems
Supervisor
 Biologia Computacional e Bioinformática (Master)
Universidade Nova de Lisboa Faculdade de Ciências e Tecnologia, Portugal
2023/02 - 2023/06 Molecular determinants of ligand binding to OBP3
Supervisor
 Biochemistry (Degree)
UCIBIO - Applied Molecular Biosciences Unit, Faculdade de Ciências e Tecnologia - Universidade Nova de Lisboa, Portugal
2020/09 - 2021/09 Odorant Binding Proteins for artificial olfaction and fast diagnostics (MSc)
Co-supervisor
 Master Thesis in Biotechnology (Master)
Universidade Nova de Lisboa, Portugal
2021/02 - 2021/07 Peptide-based biomaterials inspired at natural collagen (BSc)
Co-supervisor
 Bioquímica (Degree)
Universidade Nova de Lisboa, Portugal
2021/02 - 2021/07 Development of an artificial enzyme based on tyrosine phosphatase (BSc)
Co-supervisor
 Bioquímica (Degree)
Universidade Nova de Lisboa, Portugal
2018/09 - 2019/09 Molecular properties of Volatile organic compounds sensing materials (MSc)
Supervisor
 Bioorganic Chemistry (Master)
Universidade Nova de Lisboa Faculdade de Ciências e Tecnologia, Portugal
2019 - 2019 Molecular properties of VOC sensing materials
Supervisor
 Química Bioorgânica (Master)
Universidade NOVA de Lisboa Faculdade de Ciências e Tecnologia, Portugal
2018/01 - 2018/04 Marine compounds as potencial drugs for mixed lineage leukemia treatment (BSc)
Supervisor
 Bioquímica (Degree)
Universidade Nova de Lisboa Faculdade de Ciências e Tecnologia, Portugal
2018/01 - 2018/04 Volatile biomarkers in cancer diagnostics ¿ study of the LUSH protein for incorporation in biosensors (BSc)
Supervisor
 Bioquímica (Degree)
Universidade Nova de Lisboa Faculdade de Ciências e Tecnologia, Portugal

Event organisation

Event name
Type of event (Role) 		Institution / Organization
2022/09/24 - Current InSilicoClub@UCIBIO - Monthly Seminars on computer based research on the APPLIED MOLECULAR BIOSCIENCES UNIT, UCIBIO (2022/09/24)
Seminar (Co-organisor)
 UCIBIO - Applied Molecular Biosciences Unit, Faculdade de Ciências e Tecnologia - Universidade Nova de Lisboa, Portugal
2023/06/01 - 2023/06/02 Biophysics Festival 2023 - Portuguese Biophysics Society (2023/06/01 - 2023/06/02)
Conference (Member of the Organising Committee)
 Universidade do Porto Instituto de Investigação e Inovação em Saúde, Portugal
2022/03 - 2023 Affinity 2023 (2022 - 2023)
Conference (Member of the Organising Committee)
 Universidade Nova de Lisboa Faculdade de Ciências e Tecnologia, Portugal
2021/12 - 2022/06 Meeting of Young Biophysicists 2022 (2022/06/03 - 2022/06/03)
Meeting (Member of the Organising Committee)
 Sociedade Portuguesa de Biofísica, Portugal
2020/06 - 2021/06 Affinity 2021 - 24th ISMR conference on molecular recognition. The International Society for Molecular Recognition (ISMR) was founded in 1985 and conceived to foster communication between researchers concerned with molecular recognition in chemistry, biology, biotechnology and medicine. (2021/06/22 - 2021/06/24)
Conference (Member of the Organising Committee)
 Universidade Nova de Lisboa, Portugal
2019/01 - 2019/01 FCT NOVA Post-Docs Annual Meeting - 2019. Meeting to bring together the Postdoctoral scientific community of FCT NOVA to share Science and for networking. (2019/01/25 - 2019/01/25)
Meeting (Member of the Organising Committee)
 Universidade Nova de Lisboa, Portugal
2017 - 2019 Postdoc Scientific Short Talks - PSST! at UCIBIO&LAQV - University NOVA Lisbon Monthly talks presented by Postdoc researchers at the UCIBIO and LAQV research institutions. (2017 - 2019)
Seminar (Member of the Organising Committee)
 Universidade Nova de Lisboa, Portugal
2016/09 - 2016/09 Computational Protein Design for Biotech applications - Instruct workshop (2016)
Workshop (Member of the Organising Committee)
 UCIBIO - Applied Molecular Biosciences Unit, Faculdade de Ciências e Tecnologia - Universidade Nova de Lisboa, Portugal
2013/03 - 2013/03 Start-Up AIRC Meeting 2013 (2013/03)
Meeting (Member of the Organising Committee)
 Università degli Studi di Bologna Dipartimento di Medicina Specialistica Diagnostica e Sperimentale, Italy

Event participation

Activity description
Type of event 		Event name
Institution / Organization
2023/04/21 - 2023/04/22 Bio-Inspired and Green (BIG) Science and Technology Symposium -The annual Bio-Inspired Green (BIG) Science & Technology symposium will highlight advances in science, engineering, and policy that push us closer to sustainable living.
Symposium
 Bio-Inspired and Green (BIG) Science and Technology Symposium
CUNY Advanced Science Research Center, United States
2023/03/09 - 2023/03/09 The fifth Discngine Labs will provide insights on how to successfully develop therapeutic antibodies using a combination of in silico and in vitro approaches. In the roundtable, the experts from pharma R&D will discuss their strategies for combining these two methodologies, which lead them to improved predictions and increased efficiency in antibody development.
Seminar
Discngine, France
2023/01/18 - 2023/01/18 Seminar on European Funding schemes for WIDERA countries
Seminar
Fundação para a Ciência e a Tecnologia, Portugal
2022/02/24 - 2022/02/24 Biologics By Design: Antibody Modeling and Protein Engineering Biologics: Protein Alignments, Modeling and Docking Scientific Presentations
Workshop
 Biologics By Design
2022/02/08 - 2022/02/08 SARS-CoV-2 Omicron prediction and antiviral drug design are enabled by RBD in vitro evolution - Gideon Schreiber, AlphaFold & protein optimisation - Sarel Fleishman
Seminar
 Instruct-ERIC webinar series: structure meets function
2021/10/21 - 2021/10/21 CCG Virtual Workshop: Peptide Modeling and Docking
Workshop
Chemical Computing Group, Canada
2021/10/14 - 2021/10/14 The Importance of Chromatography in the Development of Vaccines
Seminar
 SPICA - The Importance of Chromatography in the Development of Vaccines
2021/10/12 - 2021/10/12 MDAnalysis is one of the most widely-used Python libraries for the analysis of biomolecular simulations and structures, underpinning analysis workflows in academia and industry. In this talk, we will introduce MDAnalysis, showcase popular core features as well as exciting new developments in the recent 2.0 release, such as converters for the RDKit and OpenMM libraries, and workflows for parallel analysis. We will discuss future directions for improving and expanding the MDAnalysis ecosystem, with a focus on improved performance, interoperability, an
Workshop
2021/05/04 - 2021/05/06 New developments in computational chemistry have led to the creation of ultra-large virtual libraries of compounds while new in silico screening approaches are enabling project teams to explore this vast chemistry space to identify novel hits. This three-day symposium will explore these latest technologies and how these hits are transferred from virtual to reality.
Conference
 Launching Drug Discovery from Huge Chemical Space
WuXi AppTec, China
2020/10/22 - 2021/02/18 Multiscale Modeling for Biotherapeutics Symposium, Online. The symposium began on October 22nd and has been extended through February 18th, 2021. The symposium will feature presentations and Q&A sessions from speakers in both academia and industry.
Seminar
 Multiscale Modeling for Biotherapeutics Symposium, Online
Schrodinger LLC New York Office, United States
2021/01/28 - 2021/01/28 MedChemBioOnline is a series of webinars mixing science, soft-skills trainings and round table discussions. This initiative aims to meet the current needs of our scientific community to continue interacting and sharing ideas and innovation, as well as providing early career scientists with opportunities to listen to outstanding scientists and expand their knowledge.
Seminar
 6th EFMC-YSN MedChemBioOnline
European Federation for Medicinal Chemistry and Chemical Biology - EFMC, Switzerland
2020/10/09 - 2020/10/09 This Conference has a broad focus in Infection, Cancer and Global health and invites all interested in any of these three main general topics. Special attention shall be given to factors that cause or prevent infection and cancer, their interplay and impact on global health.
Conference
 NOVAhealth Chronic Disease and Infection: Infection, Cancer and Global Health.
Universidade Nova de Lisboa, Portugal
2020/10/02 - 2020/10/09 This is a week long series of workshops (mixtures of lectures and hands-on activities) and seminars aimed at newcomers to biomolecular simulations and those who wish to improve their skills. It is designed in a modular way so registered participants can pick and choose the sessions that suit their individual interests.
Workshop
 CCPBioSim Training Week 2020
The Collaborative Computational Project for Biomolecular Simulation, United Kingdom
2020/09/22 - 2020/09/22 The 3rd NOVA Science Meeting will be dedicated to Sustainability and the UN Sustainable Development Goals (SDGs), and is divided into two sessions.
Meeting
 NOVA Science Day 2020
Universidade Nova de Lisboa, Portugal
2020/09/17 - 2020/09/17 Over the course of this hour-long webinar, we will provide specific techniques for teachers to increase student engagement in large online classrooms for both undergraduate and postgraduate courses. Specific topics that will be covered include: How to prepare students before class to drive engagement; Best practices for managing plenary discussions in large classes; Ways to create appealing and productive team break-out exercises.
Workshop
 Amplifying Engagement: Energizing Students in Large Online Classrooms
Harvard Business Publishing Corporation, United States
2020/09/10 - 2020/09/11 Latest research of young medicinal chemists.
Symposium
 EFMC Young Medicinal Chemists' Symposium
European Federation for Medicinal Chemistry and Chemical Biology - EFMC, Switzerland
2020/09/07 - 2020/09/08 Advances in drug discovery in major therapeutic areas, including bacterial and viral infections, diseases of the brain, heart, and respiratory system, fibrotic diseases and cancer.
Conference
 EFMC-ISMC Virtual Event 2020
Eidgenössische Technische Hochschule Zürich, Switzerland
2020/07/22 - 2020/07/22 Surfactants play a key role in formulations from emulsifiers in candy bars to home detergents. The design of new chemistries and the development of novel formulations can be aided by predicting and understanding the link between chemical structure and performance. Atomic scale simulation provides an increasingly powerful avenue to explore the impact of chemistry and formulation changes in the performance of surfactant-based chemistries.
Seminar
 Surfactant Chemistry Development for Consumer Packaged Goods Enhanced by Atomic Scale Simulation
Schrodinger LLC New York Office, United States
2020/06/19 - 2020/06/19 European Society of Biochemical Sciences ESBES Webinar ­- ­Bioprocess development challenges for fast manufacturing of SARS-CoV-2 proteins and vaccines
Seminar
 Bioprocess development challenges for fast manufacturing of SARS-CoV-2 proteins and vaccines
European Society of Biochemical Sciences, Germany
2020/05/27 - 2020/05/27 20-minute presentations by Tom Grossmann (VU Amsterdam), Alison Narayan (University of Michigan), and Gonçalo Bernardes (University of Cambridge) plus Q&A.
Symposium
 1st ChemBioChem Virtual Symposium
Chemistry Europe, Germany
2020/05/18 - 2020/05/19 The talks will cover: theoretical approaches to novel liquid-crystalline systems; numerical methods for computing complex solution landscapes, including the relatively open field of saddle point solutions; modelling of biological liquid crystalline systems; and new experiments in the field.
Workshop
 Novel modelling insights into confined soft matter systems
University of Strathclyde, United Kingdom
2019/11/14 - 2019/11/15 Lisbon Area PostDoc meeting. Gathering PostDocs from different research institutions in biological sciences from Lisbon.
Meeting
 LAPD Inter-institutional postdoc retreat in Setubal
Universidade Nova de Lisboa, Portugal
2019/06/17 - 2019/06/17 The goal of this workshop is to promote networking between UCIBIO researchers, either already developing their activities within Blue Biotechnology or aiming at future collaborations.
Workshop
 1st UCIBIO Workshop on Blue Biotechnology - FCT-NOVA
Universidade Nova de Lisboa, Portugal
2019/04/06 - 2019/04/08 During this course students, researchers, managers will learn about critical project management areas, useful methodologies and project tools, technical and behavioral skills that the project manager is expected to apply to finish a project successfully. Based on a case study, participants will develop a project plan, a useful planning tool for students at any time of their PhD studies or for project managers of any kind of business project. In parallel, It will be provided a space to discuss several issues linked to project success.
Workshop
 Project management course – NOVA Doctoral School
Universidade Nova de Lisboa, Portugal
2016/10/03 - 2016/10/04 Supervisor training at NOVA provides professional development opportunities to Ph.D. supervisors. The aims of the course are to inform and to discuss supervision in general and the role of the supervisor at NOVA.
Workshop
 Developing supervisory skills course
Universidade Nova de Lisboa, Portugal
2016/10 - 2016/10 Protecting your ideas: IP Protection, Patent strategy, Licensing. Understand how to protect IP and create value out of it.
Workshop
 Intellectual Property course
Universidade Nova de Lisboa, Portugal
2014/03 - 2014/03 Computational Driven Drug Discovery, Verona, Italy
Meeting
 Computational Driven Drug Discovery
Aptuit Srl, Italy
2014/03 - 2014/03 Winter Modeling 2014, Modena, Italy
Conference
 Winter Modeling 2014
Università degli Studi di Modena e Reggio Emilia, Italy
2011/11 - 2011/11 Computational Driven Drug Discovery, L’Aquila, Italy
Meeting
 Computational Driven Drug Discovery
Dompé farmaceutici SpA, Italy
2009 - 2009 Aster MATCH 2009 - Series of meetings aimed at young researchers interested in acquiring communication and interpersonal skills to present the results of their research work to companies. 2009, Bologna, Italy.
Workshop
 Aster MATCH 2009
Regione Emilia-Romagna, Italy
2008/07 - 2008/07 M-Aster DOC - Intensive course aimed to the knowledge and awareness of problems in technology transfer business. Bologna, Italy
Workshop
 M-Aster DOC
Regione Emilia-Romagna, Italy
2008/04 - 2008/04 Workshop in Chemoinformatics and ADMET in silico in pharmaceutical research
Workshop
 Workshop in Chemoinformatics and ADMET in silico in pharmaceutical research
Stabilimento e Centro di Ricerche Sigma-Tau SpA, Italy
2008/03 - 2008/03 NanoCalorimetry for Biological and Biomedical Applications
Symposium
 NanoCalorimetry for Biological and Biomedical Applications
Università degli Studi di Pisa, Italy
2008/02 - 2008/02 New Trends in drug discovery
Seminar
 New Trends in drug discovery
Università degli Studi di Parma, Italy

Association member

Society Organization name Role
2023/05 - Current Sociedade Portuguesa de Biotecnologia Communication
2022/01/10 - Current Portuguese Biophysics Society Member - Communication Team
2022/01/10 - Current Portuguese Biochemical Society Member
2020/09 - Current International Society for Molecular Recognition (ISMR) Member
2020 - Current European Federation of Biotechnology Member
2019/04 - Current ATA - Almada Tennis Association Secretary of the Association Assembly
2018 - Current European Society of Biochemical Engineering Sciences Member
2017/01/01 - Current Sociedade Portuguesa de Química
2016/11 - Current ATA - Almada Tennis Association Member
2017/09 - 2019 LUPA - LAQV and UCIBIO Post-Doctoral Association Treasurer

Committee member

Activity description
Role 		Institution / Organization
2020/10 - Current Project Management Team of the PURE FET Open project - Grant agreement ID: 899732
Member
 Universidade Nova de Lisboa, Portugal
2020/10 - Current Data Management Plan Officer of the PURE FET-Open Project - Grant agreement ID: 899732
Coordinator
 Universidade Nova de Lisboa, Portugal
2019 - 2022 Chemistry Department Council - UCIBIO researchers - elected representative.
Member
 Universidade Nova de Lisboa Departamento de Química, Portugal
2008 - 2010 Students’ representative of the PhD School of Multiscale Modeling, University of Modena and Reggio Emilia, Modena, Italy.
Member
 Università degli Studi di Modena e Reggio Emilia, Italy

Conference scientific committee

Conference name Conference host
2023/06/05 - 2023/06/07 Affinity 2023 - 25th Meeting of the International Society of Molecular Recognition Universidade NOVA de Lisboa
2023/06/01 - 2023/06/02 Biophysics Festival 2023 - Portuguese Biophysics Society I3S - Porto
2022/06/03 - 2022/06/03 Meeting of Young Biophysicists 2022 SPBf
2021/06/22 - 2021/06/24 Affinity 2021 ISMR

Course / Discipline taught

Academic session Degree Subject (Type) Institution / Organization
2020/03/01 - Current Organic Chemistry - The curricular unit of Organic Chemistry is a UC that aims to offer a basic formation in organic chemistry, to the students of the Biochemistry degree. The UC bridges Quantum Mechanics with structure and reactivity of organic compounds, covering part of the program that is usually taught in Theory of Chemical Bonding. The UC does not aim at an exhaustive description of organic functional groups but, instead, to the understanding of the chemical reactivity of the most important groups present in biological systems. Organic Chemistry (Licenciatura) Universidade Nova de Lisboa Departamento de Química, Portugal
2019/11 - Current Chemical Biology course for PhD student program: MolBioS (University NOVA Lisbon). Chemical Biology (Curso de doutoramento (conclusão de unidades curriculares)) Universidade Nova de Lisboa Instituto de Tecnologia Química e Biológica, Portugal
2019/10 - Current Chemistry B - The central goal of this course is to provide an understanding on basic chemistry concepts, with particulary focus on chemical bonding and reactivity, acid base , kinetic and oxidation and redution behaviors of chemical species. At the end of this course the student should have the knowledge and skills to be able to work in group, to know how to interpret the results obtained in the laboratory and to develop a capacity of observation and a critical and scientific spirit. Chemistry B (Mestrado integrado) Universidade Nova de Lisboa Departamento de Química, Portugal
2023/04/21 - 2023/04/21 Bionanotechnology - Lecture on "Affinity ligands for BionanoTech" Bionanotechnology (Mestrado) Universidade Nova de Lisboa Departamento de Química, Portugal
2023/03/23 - 2023/03/23 Computational Simulation of Drug-Protein Interaction - Workshop, Invited (Outros) Universidade de Lisboa Instituto Superior Técnico, Portugal
2022/09/27 - 2022/09/29 Free course on Computational Biosciences using HPC systems Molecular Modeling UCIBIO - Applied Molecular Biosciences Unit, Faculdade de Ciências e Tecnologia - Universidade Nova de Lisboa, Portugal
2018 - 2018 Invited lecture on Computational Enzyme Design Enzyme Technology (Mestrado) Universidade Nova de Lisboa, Portugal
2017 - 2017 Invited Lecture on computational techniques for enzyme engineering Enzymology (Licenciatura) Universidade Nova de Lisboa, Portugal
2016/10 - 2016/12 Enzimologia Bioquímica (Licenciatura) Universidade Nova de Lisboa Faculdade de Ciências e Tecnologia, Portugal

Mentoring / Tutoring

Topic Student name
2022/09/01 - Current Modeling and Self-Assembly prediction of reflectins Cátia Soares
2022/02/01 - Current Small peptide self-assembly simulations Carina Esteves
2022/01/01 - Current Structure prediction and interactions of new proteins from geobacter Tomás Fernandes
2020/06 - Current Structure prediction of cephalopods tentacles biopolymers (PhD) Henrique Costa
2020/05 - Current Structure prediction of biomimetic biopolymers (PhD) Iana Lychko
2019 - 2021/01 Computational Development of Biomolecules for Antibody Purification (PhD) Manuel Matos

Other jury / evaluation

Activity description Institution / Organization
2023/12/07 - 2023/12/09 Microbiotec 2023 - Jury of Poster evaluation. Sociedade Portuguesa de Biotecnologia, Portugal

Universidade da Beira Interior, Portugal
2022/06 - 2022/06 Jury BSc project: Explore the association between splicing defects and transcription readthrough in human healthy tissues UCIBIO - Applied Molecular Biosciences Unit, Faculdade de Ciências e Tecnologia - Universidade Nova de Lisboa, Portugal
2020/07/01 - 2020/07/01 Jury of Biochemistry student project presentation - University NOVA Lisbon "Design of peptides to interfering with the RANK-TRAF6 axis: an integrated approach" Universidade Nova de Lisboa, Portugal
2019/06/24 - 2019/06/24 Jury of Biochemistry student project presentation - University NOVA Lisbon "Modelação 3D da coroa proteica de Nanopartículas de Ouro" Universidade Nova de Lisboa, Portugal
2018/06/20 - 2018/06/20 Jury of Biochemistry student project presentation - University NOVA Lisbon "Estudos computacionais e síntese de compostos tri e tetracíclicos contendo azoto e espaçador alifático, potencialmente inibidores de AChE e antagonistas de hH3" Universidade Nova de Lisboa, Portugal
Distinctions

Award

2021 Best Short Presentation Award at ISPPP 2021
AICIB - Austrian Centre of Industrial Biotechnology, Austria
2007 Travel Award for the Fourth Joint Sheffield Conference on Chemoinformatics, June 2007, University of Sheffield, UK
2007 Scholarship Award for the Physical-Chemical Methodologies for the study of biological systems, Sept. 2007, Camogli, Italy.
Società Chimica Italiana, Italy