Arménio Jorge Moura Barbosa (6A11-E765-5D6E)

Curriculum Vitae

Arménio Jorge Moura Barbosa

Arménio Barbosa is a Biochemist, specialized in Theoretical Biophysics and molecular modeling and simulations, graduated at the University of Porto in 2006. Afterwards, I moved to Italy for my PhD studies, finished in 2010, in Multiscale Modeling at the University of Modena and Reggio Emilia, under the supervision of Prof. M.C. Menziani (UNIMORE) and Prof. M.J. Ramos (UP, Portugal). From 2010 to 2014, I was awarded two PostDoc Fellowships at Dr. Alberto Del Rio group (UNIMORE and University of Bologna, IT), to work on anticancer computer-aided drug discovery. In 2015, I was granted a PostDoc position at Prof. Cecilia Roque group, UNL, in an enzyme-design EU project in collaboration with ACIB and BASF. One year later, 2016, I was awarded an individual PostDoc fellowship from FCT,IP to develop peptides and proteins for gas sensing. In 2018, I won a research contract at UNL, in Multiscale Modeling (DL57 NT). Since 2020, he leads the Computational (Bio)Chemistry section of the Biomolecular Engineering Lab, focused on developing computational methodologies for state-of-the-art technologies in affinity purification, synthetic and biologic affinity ligands, small compound and biopharmaceutical drug discovery, design and simulation of supramolecular bio-based materials, bioproducts for sensing applications, and the study of other chemical entities as ionic liquids, buffer solutions and liquid crystals. He is Contracted Researcher in Universidade Nova de Lisboa Chemistry Department, at UCIBIO - Applied Molecular Biosciences Unit and in Institute for Health and Bioeconomy i4HB, Associated Laboratory. Published 24 articles in journals and has 1 section of books and 1 patent registered. Organized 11 event(s) and Participated in 34 event(s). Co-supervised 2 PhD thesis(es), Supervised 3 MSc dissertation(s) and co-supervised 2. 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), Principal investigator in 3 project(s), Research Fellow in 3 project(s) and Researcher in 11 project(s).

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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
Scopus Author Id: 37033374900

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
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
2024/04 - 2025/03	Affi-Pred - Computational Toolbox for Discovery of new Affinity Ligands 2023.10437.CPCA Principal investigator 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	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	Catia Soares; Lychko, Iana; Tomás R. Calmeiro; Martins, Rodrigo; Moura Barbosa, Arménio J.; Ana MGC Dias; Ana Cecília A. Roque. "Characterization of dynamic self-assembly of reflectins (Flash Presentation)". Paper presented in PepperSchool2024 - Peptide and protein engineering from concepts to biotechnological applications, 2024. Jéssica Rodrigues; Carlos Costa; Carolina Mota Natal; Ana Margarida Gonçalves Carvalho Dias; Roque, ACA; Moura Barbosa, Arménio J.. Corresponding author: Moura Barbosa, Arménio J.. "Molecular Modeling in Biotechnology: Design and Discovery of small molecule adsorbents". Paper presented in EuroQSAR 2024, 2024. Lychko, Iana; Soares, CL; Barbosa, AJM; Calmeiro, Tomás; Martins, Rodrigo; Ana Margarida Dias; Roque, ACA. "Exploring the Reversible Behavior of Cephalopod-inspired Nanostructures". Paper presented in Gordon's Bio-inspired Materials, 2024. Carlos Costa; Moura Barbosa, Arménio J.; Ana MGC Dias; Ana Cecília A. Roque. "Computer-aided design and validation of novel affinity ligands towards the SARS-CoV-2 spike protein". Paper presented in BioExcel Summer School 2024, 2024. Lychko, Iana; Soares, CL; Barbosa, AJM; Martins, Rodrigo; Ana Margarida Dias; Roque, ACA. "Insights into the dynamic self-assembly of cephalopod specific proteins". Paper presented in Biophysics festival, Covilhã, Portugal, 2024. Esteves, Carina; Palma, Susana I. C. J.; Teixeira, Gonçalo D. G.; Fernandes, S.; Moura Barbosa, Arménio J.; Roque, Ana Cecília Afonso. "Designed ionic liquid-based soft materials for artificial olfaction". Paper presented in 8th International Conference on Bio-Sensing Technology (BITE 2024), 2024. Jéssica Rodrigues; Carlos Costa; Carolina Mota Natal; Ana Margarida Dias; Roque, ACA; Moura Barbosa, Arménio J.. Corresponding author: Moura Barbosa, Arménio J.. "In silico Affinity Ligands: Design and Discovery of small molecule adsorbents". Paper presented in Bpi Europe 2024, 2024. Lychko, Iana; Soares, CL; Barbosa, AJM; Calmeiro, Tomás; Martins, Rodrigo; Ana Margarida Dias; Roque, ACA. "Characterization of Reflectins Dynamic Self-Assembly". Paper presented in ”. SupraLife Second School - “Bioinspired Supramolecular Self-Assemblies, 2024. Rodrigues, Jessica; Carlos Costa; Carolina Mota Natal; Ana MGC Dias; Ana Cecília A. Roque; Moura Barbosa, Arménio J.. "In silico Affinity Ligands: Design and Discover of small molecule adsorbents". Paper presented in Bioprocess International Europe, 2024. Moura Barbosa, Arménio J.; Soares, Cátia Lopes; Esteves, Carina; Nurrito, Ariana; Lychko, Iana; Ana Margarida Dias; Pina, Ana Sofia; Roque, Ana Cecília Afonso. "From code to structure: molecular modeling in biomaterials assembly". Paper presented in SUPRAlife Second School – “Bioinspired Supramolecular Self-Assemblies, 2024. Esteves, Carina; Moreira, Inês Pimentel; Moura Barbosa, Arménio J.; Dove, D.; Lampel, A.; Ulijn, R.V.; Roque, Ana Cecília Afonso. "Peptide ionogels in designed solvents". Paper presented in SUPRAlife Second School – “Bioinspired Supramolecular Self-Assemblies, 2024. 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. Lychko, Iana; Soares, CL; Barbosa, AJM; Dias, Ana; Roque, ACA; Calmeiro, Tomás. "Dynamic Self- Assembly Characterization of Reflectins". Paper presented in Affinity 2023, 2023. 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. Lychko, Iana; Soares, Cátia Lopes; Padrão, Inês; Calmeiro, Tomás; Barbosa, AJM; Costa, Pedro; Ana Margarida Dias; Roque, ACA. Corresponding author: Lychko, Iana. "Optimized production of reflectins and characterization of their reversible self-assembly (Best Poster Award)". Paper presented in Microbiotec 2023, 7th-9th December 2023, Covilhã, Portugal, 2023. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. Teixeira, Gonçalo D. G.; Calvário, Joana R. S.; Moro, Artur J.; Lima, João Carlos; Moura Barbosa, AJ; Roque, ACA. Corresponding author: Moura Barbosa, AJ. "Rational selection of odorant-binding proteins for gas sensing applications (Young Investigator Award)". Paper presented in Affinity 2021 (virtual edition), 2021. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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. 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	Iana Lychko; Cátia Lopes Soares; Barbosa, A.J.M.; Tomás Rosa Calmeiro; Rodrigo Ferrão de Paiva Martins; Ana Margarida Gonçalves Carvalho Dias; Ana Cecília Afonso Roque. "Kinetics of charge-dependent reversible condensation of reflectin nanostructures". Materials Advances (2024): https://doi.org/10.1039/D4MA00788C. 10.1039/D4MA00788C 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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	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	Barbosa, A.J.M.. Website - PURE project cloud. 2020. https://pure-fetopen.eu/. Barbosa, A.J.M.. Website - PURE Sustainable Bioseparations. 2020. https://pure-fetopen.eu/.

Intellectual property

Patent

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

Other

Dataset

Moura Barbosa, Arménio J.. CoCoCo - Commercial Compound Collection,2010. Italy.
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
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

Outreach - ExpoFCT 2024, AI in drug discovery. 2024. Moura Barbosa, Arménio J.; João Aires de Sousa; Jéssica Rodrigues; Carlos Costa. https://arquivo.expo.fct.unl.pt/2024/atividade/inteligencia-artificial-na-descoberta-computacional-de-novos-farmacos/index.html.
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/.
Outreach - European Research's Night 2022. " Proteins for a Sustainable Future". 2022. Susana Palma; Moura Barbosa, Arménio J.. https://noitedosinvestigadores.org/.
Pure Project Dissemination and Exploitation Plan. 2021. Barbosa, AJM; Dias AM; Roque, ACA. https://doi.org/10.5281/zenodo.5541380.
10.5281/zenodo.5541380
Pure Project Data Management Plan. 2021. Barbosa, AJM. https://doi.org/10.5281/zenodo.5503931.
10.5281/zenodo.5503931
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/.
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.
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.
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/.
Outreach - European Research's Night 2018 - The scent of science. 2018. Barbosa, A.J.M..
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.
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/.
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.
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/.
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.
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/.
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)
2024/07/23	Biomolecular Modeling	Bioinformatics & Stich in Biomolecular Sciences BEST Course in Summer 2024 BEST Almada, FCT-NOVA (Caparica, Portugal)
2024/02/07	Structure-based Virtual Screening, Molecular Dynamics	2nd Edition of Course on Computational Biosciences using HPC systems (UCIBIO / LAQV / INCD). INCD (Lisbon, Portugal)
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
2024/09 - 2025/10	Using graph neural networks for ligand-protein affinity prediction Co-supervisor	Engenharia Informática (Master) Universidade Nova de Lisboa Faculdade de Ciências e Tecnologia, Portugal
2024/06 - 2024/09	Discovery of affinity ligands for purification Supervisor	Erasmus+ (Other) Universidade Nova de Lisboa Faculdade de Ciências e Tecnologia, Portugal Politechnika Wroclawska, Poland
2024/02 - 2024/09	Virtual library for biomolecule purification Supervisor of Rodrigo Conceição	Bioquímica Universidade Nova de Lisboa Faculdade de Ciências e Tecnologia, Portugal
2024/02 - 2024/02	Docking Study of Affinity Ligands Supervisor	Biologia Computacional e Bioinformática (Scientific initiation) Universidade Nova de Lisboa, Portugal
2023 - 2024	Computational Modeling of Biopharmaceuticals Purification Systems Supervisor of Jéssica Rodrigues	Biologia Computacional e Bioinformática (Master) Universidade Nova de Lisboa Faculdade de Ciências e Tecnologia, Portugal
2018 - 2024	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
2023/02 - 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
2024 - 2025/05	Biophysics Festival 2024 - Portuguese Biophysics Society (2024 - 2025/05) Conference (Co-organisor)	Sociedade Portuguesa de Biofísica, Portugal Universidade Nova de Lisboa Faculdade de Ciências e Tecnologia, Portugal
2023/10 - 2024/10	Pepperschool 2024 PepperSchool gathers PhD students, post-doctoral researchers, principal investigators and any professionals from academia and industry wishing to be up to date in the field of tailored-made peptide/protein production. (2024/10/07 - 2024/10/11) Workshop (Member of the Organising Committee)	Universidade Nova de Lisboa Faculdade de Ciências e Tecnologia, 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
2024/11 - Current	Member of the fiscal council Member	Sociedade Portuguesa de Biofísica, Portugal
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
2024 - 2025	Biophysics Festival 2025 - Portuguese Biophysics Society	FCT NOVA
2024/05/09 - 2024/05/10	Biophysics Festival 2024 - Portuguese Biophysics Society	Universidade da Beira Interior
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
2024/09 - Current	Introduction to Biomolecular Simulation The course aims to introduce students to the field of biomolecular simulation. By the end of this course unit, it is expected that students will: i) Have acquired theoretical and practical skills concerning protein structure files, techniques used in biomolecule simulation and of protein structure prediction tools. ii) Understand and master the visualization of 3D protein structures, their preparation, and utilization in molecular simulation. iii) Gain familiarity with multi-scale computation	Bioquímica (Licenciatura)	Universidade Nova de Lisboa Faculdade de Ciências e Tecnologia, Portugal
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 - 2024/01	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
2023/12 - 2024/09	Design of a Manufacturing Platform for Recombinant Antibody Fragments for Diagnostic Purposes	Sara Viveiros
2022/01/01 - 2024	Structure prediction and interactions of new proteins from geobacter	Tomás Fernandes
2020/06 - 2024	Structure prediction of cephalopods tentacles biopolymers (PhD)	Henrique Costa
2020/05 - 2024	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 - Current	PhD Thesis Mentoring Committee of João Pedro Batista da Silva	Universidade da Beira Interior, Portugal
2024/07/17 - 2024/07/17	Jury BSc project: A cheminformatics exploration of molecular descriptor and fragment fingerprint patterns for the discovery of new drug leads from natural products – PD-1/PD-L1 modelling.	Universidade Nova de Lisboa Faculdade de Ciências e Tecnologia, Portugal
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