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I am 26 years old and have worked full-time in scientific research over the last 4 years. I am currently a PhD student at the Faculty of Sciences, University of Lisbon, under the supervision of Dr. Miguel Machuqueiro and the co-supervision of Prof. Adrian E. Roitberg (Univ. Florida), where I am working on finding very strong analgesics alternatives to opioids, by using state of the art computational methods to simulate biological systems in a constant pH environment. I have a B.Sc. in Cellular and Molecular Biology, obtained in the NOVA School of Science and Technology, and finished with a final score of 14 (out of 20). Additionally, I have a Master's degree in Bioinformatics and Computational Biology, from the Faculty of Sciences, University of Lisbon with a final score of 18 (out of 20). I am the first author in two scientific publications and I am a co-author in two others. I have given 9 oral communications in scientific meetings and I have presented 17 posters at national and international conferences. I have received 5 travel bursaries to attend international conferences, amounting to ~3000€. I received the IUPAB Student and Early Career Researcher Poster Award at 21st IUPAB Congress 2024, in Kyoto JP, and the 2025 Student Research Achievement Award in the Biophysical Society Annual Meeting 2025, in Los Angeles USA.. I am currently one of the representatives of the Chemistry, Biochemistry and Technological Chemistry PhD programs at the Faculty of Sciences of the University of Lisbon. I was one of the finalists in the Boosting Sustainable Development Goals Initiative - Pitch your Science, hosted at Ciências Research & Innovation Day 2023. I also had the opportunity of being a researcher presenting the group's work at the "European Researchers Night 2022" in Lisbon, being an Invited Scientist in the “Cientista Regressa à Escola” initiative by Native Scientists, and I have published a divulgation article in Publico. Throughout my academic journey, I had the chance of enrolling in two internships at the Instituto Gulbenkian Ciência. The first was as part of the Quantitative Organism Biology group, led by Dr. Jorge Carneiro and the second internship was at the Population and Conservation Genetics group, under the supervision of Dr. Lounès Chikhi. My Masters degree dissertation was developed at the Faculty of Sciences of the University of Lisbon, in the Machuqueiro Lab and in close collaboration with Prof. Wolfgang Link (Univ. Madrid, ES) and Prof. Romano Silvestri (Univ. Roma, IT). I mainly work with Molecular Dynamics simulations (including those at a constant pH environment) and the use of Molecular Docking in the process of trying to discover new drugs, and I also have experience in modeling the spatial distribution of termites. The opportunity to develop my theses in collaboration with international researchers allowed me to grow as a researcher and learn more on the importance of collaborating in science. During my academic journey, I was also part of the organizing committee of 8 national and international conferences/workshops, and I had the opportunity of being a volunteer in the organization of two international events. I was recently a volunteer at Refood Odivelas and I am currently a member of the Stakeholders Group of the National Cancer HUB, the Portuguese Biochemistry and Biophysics Societies and the American Biophysical Society.
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Identification

Personal identification

Full name
João Gonçalo Nunes Sequeira

Citation names

  • Sequeira, João G. N.
  • João G. N. Sequeira
  • Sequeira, João

Author identifiers

Ciência ID
781B-D006-B900
ORCID iD
0000-0003-3246-5964

Email addresses

  • jgsequeira@ciencias.ulisboa.pt (Professional)

Knowledge fields

  • Exact Sciences - Computer and Information Sciences - Bioinformatics
  • Natural sciences - Biological Sciences - Biochemistry
  • Exact Sciences - Computer and Information Sciences - Computer Sciences

Languages

Language Speaking Reading Writing Listening Peer-review
Portuguese (Mother tongue)
English Proficiency (C2) Proficiency (C2) Proficiency (C2) Proficiency (C2) Proficiency (C2)
Spanish; Castilian Intermediate (B1) Intermediate (B1) Elementary (A2) Intermediate (B1) Elementary (A2)
French Beginner (A1) Beginner (A1) Beginner (A1) Elementary (A2) Beginner (A1)
Education
Degree Classification
2022/09/01 - 2026/08/31
Ongoing
 Bioquímica (Doutoramento)
Universidade de Lisboa Faculdade de Ciências, Portugal
2019/09 - 2022/02
Concluded
 Bioinformática e Biologia Computacional (Mestrado)
Universidade de Lisboa Faculdade de Ciências, Portugal
"High-throughput virtual screening to identify non-covalent inhibitors of CRM1 with anti-tumoral potential" (THESIS/DISSERTATION)
 18
2016/09 - 2019/07
Concluded
 Biologia Celular e Molecular (Licenciatura)
Universidade NOVA de Lisboa Faculdade de Ciências e Tecnologia, Portugal
 14
Affiliation

Science

Category
Host institution 		Employer
2019/01 - 2019/06 Research Trainee (Research) Universidade NOVA de Lisboa Faculdade de Ciências e Tecnologia, Portugal
Instituto Gulbenkian de Ciência, Portugal
2018/01 - 2018/03 Research Trainee (Research) Instituto Gulbenkian de Ciência, Portugal
Instituto Gulbenkian de Ciência, Portugal

Others

Category
Host institution 		Employer
2022/09 - Current Bolseiro de Doutoramento Fundação para a Ciência e a Tecnologia, Portugal
Projects

Grant

Designation Funders
2022/09/01 - 2026/08/31 A new AMBER CpHMD implementation to study the acid-sensing ion channels inhibition
2022.10517.BD
PhD Student Fellow
Ongoing
Outputs

Publications

Conference abstract
  1. João G. N. Sequeira; Link, Wolfgang; Machuqueiro, Miguel. Corresponding author: João G. N. Sequeira. "HTVS protocol to identify non-covalent inhibitors of CRM1". Paper presented in Encontro de Jovens Investigadores de Biologia Computacional Estrutural, Coimbra, 2021.
    10.3390/mol2net-07-12108
  2. João G. N. Sequeira; Filipe E. P. Rodrigues; Telmo G. D. Silva; Pedro B. P. S. Reis; Machuqueiro, Miguel. Corresponding author: Machuqueiro, Miguel. "Extension of the stochastic CpHMD method to the CHARMM36m force field". Paper presented in Encontro de Jovens Investigadores de Biologia Computacional Estrutural, Coimbra, 2021.
    10.3390/mol2net-07-12117
Conference poster
  1. Sequeira, João G. N.; Roitberg, Adrian; Machuqueiro, Miguel. "Multi-Force Field Integration in Constant-pH Molecular Dynamics". Paper presented in Hünfeld 2025: Workshop on Computer Simulation and Theory of Macromolecules, 2025.
  2. Sequeira, João G. N.; Roitberg, Adrian; Machuqueiro, Miguel. "Constant-pH Molecular Dynamics and Force Field Integration". Paper presented in 64th Sanibel Symposium, 2025.
  3. Sequeira, João G. N.; Roitberg, Adrian; Machuqueiro, Miguel. "Extending Constant-pH Molecular Dynamics to Multiple Force Fields". Paper presented in Biophysical Society 2025 Annual Meeting, 2025.
  4. Sequeira, João G. N.; Roitberg, Adrian; Machuqueiro, Miguel. "Looking for non-opioid analgesics using stochastic titration CpHMD with AMBER14SB". Paper presented in 21st IUPAB & 62nd BSJ Joint Congress 2024, 2024.
  5. Sequeira, João G. N.; Roitberg, Adrian; Machuqueiro, Miguel. "Looking for non-opioid analgesics using stochastic titration CpHMD with AMBER14SB". Paper presented in IUPAB 2024 Eve Fest, 2024.
  6. Sequeira, João G. N.; Roitberg, Adrian; Machuqueiro, Miguel. "Extending the Stochastic Titration CpHMD Method to Amber14SB for Acid-sensing Ion Channels Modeling". Paper presented in European South Atlantic Biophysics Congress 2024, 2024.
  7. Sequeira, João G. N.; Roitberg, Adrian; Machuqueiro, Miguel. "Extending the ST-Method to Amber14SB to Search for Non-Opioid Analgesics". Paper presented in 4th Meeting of Portuguese Young Biophysicists, 2024.
  8. Sequeira, João G. N.; Roitberg, Adrian; Machuqueiro, Miguel. "Extending the Stochastic titration CpHMD Method to AMBER14SB for Acid-Sensing Ion Channels Modeling". Paper presented in Hünfeld 2024: Workshop on Computer Simulation and Theory of Macromolecules, 2024.
  9. Sequeira, João G. N.; Roitberg, Adrian; Machuqueiro, Miguel. Corresponding author: Sequeira, João G. N.. "The role of pH in the search for non-opioid analgesics: What we are doing about it and why". Paper presented in 3rd Chem & BioChem Students Meeting, 2023.
  10. Sequeira, João G. N.; Link, Wolfgang; Machuqueiro, Miguel. Corresponding author: Sequeira, João G. N.. "Searching for CRM1 inhibitors using a HTVS protocol". Paper presented in 3D-BioInfo-PT annual meeting, 2022.
  11. Sequeira, João G. N.; Link, Wolfgang; Machuqueiro, Miguel. Corresponding author: Sequeira, João G. N.. "High-throughput virtual screening to identify non-covalent inhibitors of CRM1 with anti-tumoral potential". Paper presented in 6ª Conferência Anual da RedeSAÚDE, 2022.
  12. Sequeira, João G. N.; Link, Wolfgang; Machuqueiro, Miguel. Corresponding author: Sequeira, João G. N.. "An ad hoc HTVS protocol to identify new CRM1 non-covalent inhibitors". Paper presented in 2nd Chem & BioChem Students Meeting, 2022.
  13. Ricardo G. Teixeira; Belisario, Dimas C.; Oliveira, Nuno F. B.; Sequeira, João G. N.; Romero, Isabel; Riganti, Chiara; Machuqueiro, Miguel; et al. Corresponding author: Valente, Andreia. "Targeting P-gp with Ru-cyclopentadienyl compounds: an approach to overcome cancer multidrug resistance". Paper presented in CQE Days, 2022.
  14. João G. N. Sequeira; Machuqueiro, Miguel. Corresponding author: João G. N. Sequeira. "Conformation characterization of the NES-binding groove in CRM1". Paper presented in Hünfeld 2021: Workshop on Computer Simulation and Theory of Macromolecules, 2021.
Journal article
  1. Ricardo G. Teixeira; Iris C. Salaroglio; Nuno F. B. Oliveira; João G. N. Sequeira; Xavier Fontrodona; Isabel Romero; Miguel Machuqueiro; et al. "Fighting Multidrug Resistance with Ruthenium–Cyclopentadienyl Compounds: Unveiling the Mechanism of P-gp Inhibition". Journal of Medicinal Chemistry (2023): https://doi.org/10.1021/acs.jmedchem.3c01120.
    10.1021/acs.jmedchem.3c01120
  2. Lucia Jimenez; Victor Mayoral-Varo; Carlos Amenábar; Judit Ortega; João G. N. Sequeira; Miguel Machuqueiro; Cristiana Mourato; et al. "Multiplexed cellular profiling identifies an organoselenium compound as an inhibitor of CRM1 -mediated nuclear export". Traffic (2022): https://doi.org/10.1111/tra.12872.
    10.1111/tra.12872
  3. João G. N. Sequeira; Filipe E. P. Rodrigues; Telmo G. D. Silva; Pedro B. P. S. Reis; Miguel Machuqueiro. "Extending the Stochastic Titration CpHMD to CHARMM36m". The Journal of Physical Chemistry B (2022): https://doi.org/10.1021/acs.jpcb.2c04529.
    10.1021/acs.jpcb.2c04529
  4. João G. N. Sequeira; Tânia Nobre; Sónia Duarte; Dennis Jones; Bruno Esteves; Lina Nunes. "Proof-of-Principle That Cellular Automata Can Be Used to Predict Infestation Risk by Reticulitermes grassei (Blattodea: Isoptera)". Forests 13 2 (2022): 237-237. https://doi.org/10.3390/f13020237.
    10.3390/f13020237
Newspaper article
  1. Sequeira, João G. N.. "À procura de analgésicos potentes alternativos aos opioides", Público, 2023, https://www.publico.pt/2023/08/09/ciencia/noticia/procura-analgesicos-potentes-alternativos-opioides-2059602.
Report
  1. João G. N. Sequeira. Corresponding author: João G. N. Sequeira. 2019. Evaluating the Simulating INdividuals in Space (SINS) program as a reliable tool to simulate populations in space.
Thesis / Dissertation
  1. "High-throughput virtual screening to identify non-covalent inhibitors of CRM1 with anti-tumoral potential". Master, Universidade de Lisboa Faculdade de Ciências, 2022.

Other

Other output
  1. Extending Constant-pH Molecular Dynamics to Multiple Force Fields. Oral Presentation given at the Biophysical Society 2025 Annual Meeting. 2025. Sequeira, João G. N.; Roitberg, Adrian; Machuqueiro, Miguel.
  2. Force Field Integration in Constant-pH Molecular Dynamics. Oral Presentation given at the 3rd 3D-BIOINFO-PT annual meeting. 2024. Sequeira, João G. N.; Roitberg, Adrian; Machuqueiro, Miguel.
  3. A new AMBER CpHMD implementation to study the acid-sensing ion channels inhibition. Invited Talk at the TWIN2PIPSA University of Cambridge Training School.. 2024. Sequeira, João G. N..
  4. Understanding P-gp inhibition by RuCp compounds using a Molecular Docking protocol. Oral presentation given at the 2nd 3D-BIOINFO-PT annual meeting.. 2023. Sequeira, João G. N.; Ricardo G. Teixeira; Oliveira, N. F. B.; Valente, Andreia; Machuqueiro, Miguel.
  5. Extending Stochastic Titration CpHMD to AMBER14SB Force Field for Enhanced Drug Discovery. Oral communication given at Protein Electrostatics 2023, in Genova IT.. 2023. Sequeira, João G. N.; Roitberg, Adrian; Machuqueiro, Miguel.
  6. Extending the stochastic titration CpHMD to the AMBER14SB force field for future search of non-opioid analgesics. Oral communication at the FAME2023 conference in Tampa Florida.. 2023. Sequeira, João G. N.; Roitberg, Adrian; Machuqueiro, Miguel.
  7. A new ruthenium-cyclopentadienyl compound as a promising cancer MDR reversing agent. Oral communication given at CQE Days 2023.. 2023. Valente, Andreia; Ricardo G. Teixeira; Maximiano, Inês; Oliveira, N. F. B.; Sequeira, João G. N.; Antunes A; Machuqueiro, Miguel.
  8. Extending the stochastic titration CpHMD to the CHARMM36m and AMBER14SB force fields. Oral Communication given at the 3D-BioInfo-PT annual meeting.. 2022. Sequeira, João G. N.; Filipe E. P. Rodrigues; Telmo G. D. Silva; Reis, Pedro B P S; Machuqueiro, Miguel.
  9. High-throughput virtual screening to identify non-covalent inhibitors of CRM1 with potential antitumor. Oral Communication given at the 6ª Conferência Anual da RedeSAÚDE.. 2022. Sequeira, João G. N.; Machuqueiro, Miguel.
  10. CpHMD battle: GROMOS54A7 vs CHARMM36m. Oral communication at the Protein Electrostatics 2022 remote meeting.. 2022. Sequeira, João G. N.; Filipe E. P. Rodrigues; Reis, Pedro B P S; Machuqueiro, Miguel.
Activities

Oral presentation

Presentation title Event name
Host (Event location)
2025/02/18 Extending Constant-pH Molecular Dynamics to Multiple Force Fields Biophysical Society 2025 Annual Meeting
Biophysical Society (Los Angeles, United States)
2024/12/20 Force Field Integration in Constant-pH Molecular Dynamics 3rd 3D-BIOINFO-PT annual meeting
The Portuguese Community of Structural Bioinformatics Researchers (Lisbon, Portugal)
2024/01/16 A new AMBER CpHMD implementation to study the acid-sensing ion channels inhibition TWIN2PIPSA University of Cambridge Training School
University of Cambridge (Cambridge, United Kingdom)
2023/12/18 Understanding P-gp inhibition by RuCp compounds using a Molecular Docking protocol 2nd 3D-BIOINFO-PT annual meeting
University of Coimbra (Coimbra, Portugal)
2023/06/26 Extending Stochastic Titration CpHMD to AMBER14SB Force Field for Enhanced Drug Discovery. Protein Electrostatics 2023
Instituto Italiano di Tecnologia (Genova, Italy)
2023/06/01 Extending the stochastic titration CpHMD to the AMBER14SB force field for future search of non-opioid analgesics ACS FAME 2023
American Chemical Society (Tampa, FL, United States)
2023/05/25 A new ruthenium-cyclopentadienyl compound as a promising cancer MDR reversing agent CQE Days 2023
IST & FCUL (Lisbon, Portugal)
2022/12/21 Extending the stochastic titration CpHMD to the CHARMM36m and AMBER14SB force fields 3D-BioInfo-PT annual meeting
ITQB NOVA (Lisbon, Portugal)
2022/11/15 High-throughput virtual screening to identify non-covalent inhibitors of CRM1 with potential antitumor 6ª Conferência Anual da RedeSAÚDE
University of Lisbon (Lisbon, Portugal)
2022/06 CpHMD battle: GROMOS54A7 vs CHARMM36m Protein Electrostatics 2022 remote meeting

Event organisation

Event name
Type of event (Role) 		Institution / Organization
2024/06 - 2025/07 Member of the Organizing committee of the Protein Electrostatics Conference 2025 (2025/06/23 - 2025/06/27)
Conference (Member of the Organising Committee)
 Fundação da Faculdade de Ciências da Universidade de Lisboa, Portugal
2024/09 - 2025/05 Member of the Organizing committee of the “5th Meeting of Young Biophysicists” (2025/05/08 - 2025/05/09)
Conference (Member of the Organising Committee)
2024/01 - 2024/12/20 Member of the Organizing committee of the “2024 3D-Bioinfo-PT Intermediate Workshop” (2024/12/20 - 2024/12/20)
Workshop (Member of the Organising Committee)
 3D-BioInfo-PT, Portugal
2024/01 - 2024/12/19 Member of the Organizing committee of the “2024 3D-Bioinfo-PT Annual Meeting” (2024/12/19 - 2024/12/19)
Meeting (Member of the Organising Committee)
 3D-BioInfo-PT, Portugal
2024/01 - 2024/09/27 Member of the Organizing committee of the “2024 3D-Bioinfo-PT Workshop for Beginners”. (2024/09/27 - 2024/09/27)
Workshop (Member of the Organising Committee)
 3D-BioInfo-PT, Portugal
2024/03 - 2024/06/27 Member of the Organizing committee of the “4th Chem & Biochem student meeting” (2024/06/27 - 2024/06/27)
Meeting (Member of the Organising Committee)
 Fundação da Faculdade de Ciências da Universidade de Lisboa, Portugal
2024/01 - 2024/04/12 Member of the Organizing committee of the “2024 3D-Bioinfo-PT Advanced Workshop” (2024/04/12 - 2024/04/12)
Workshop (Member of the Organising Committee)
 3D-BioInfo-PT, Portugal
2018/10/24 - 2018/11/08 Voluntary in the organization of "Web Summit 2018". (2018/11/03 - 2018/11/08)
Conference
2018/07/23 - 2018/07/27 Voluntary in the organization of the "11th European Conference on Mathematical and Theoretical Biology". (2018/07/23 - 2018/07/27)
Conference
 Universidade de Lisboa Faculdade de Ciências, Portugal
2017/11/01 - 2018/03/27 Member of the organizing committee of the "XXI Encontro Nacional de Estudantes de Biologia". (2018/03/23 - 2018/03/27)
Congress (Member of the Organising Committee)
 Universidade NOVA de Lisboa Faculdade de Ciências e Tecnologia, Portugal

Event participation

Activity description
Type of event 		Event name
Institution / Organization
2022/09 - 2022/09 Researcher at “European Researchers’ Night 2022” European Researchers’ Night 2022

Association member

Society Organization name Role
2023 - Current Associação de Atletismo de Setúbal Regional Athletics Official
2022 - Current National Cancer HUB Member of the Stakeholders Group
2023 - 2024 Refood Odivelas Voluntary Member
2022 - 2023 “Eco-Social” Students’ Union Member
2017 - 2019 Cellular and Molecular Biology Students’ Union Member

Course / Discipline taught

Academic session Degree Subject (Type) Institution / Organization
2022 - 2023 Assistant in the Experimental Project I Class Experimental Project I Universidade de Lisboa Faculdade de Ciências, Portugal

Mentoring / Tutoring

Topic Student name
2020 - 2021 Mathematics, Physics, Chemistry and Biology tutor to High school students Lucas, Daniel and Vasco
2017 - 2019 Mathematics, Physics, Chemistry and Biology tutor to Middle school students Lucas and Daniel
Distinctions

Award

2025 Awardee of the 2025 Student Research Achievement Award, with a prize of 100$, at the Biophysical Society Annual Meeting, in Los Angeles, USA.
Biophysical Society, United States
2024 Awardee of an IUPAB Travel Bursary of 1200€ to attend the 21st IUPAB Congress 2024, in Kyoto, JP.
International Union for Pure and Applied Biophysics, France
2024 Awardee of an IUPAB Travel Bursary of 70000¥ to attend the 21st IUPAB Congress Hands-on training program, in Kobe, JP.
International Union for Pure and Applied Biophysics, France
2024 Awardee of an SPBf Travel Bursary of 350€ to attend the ESAB 2024 Congress, in San Sebastián, ES.
Sociedade Portuguesa de Bioquímica, Portugal
2024 Awardee of an EBSA Travel Bursary of 302.50€ to attend the ESAB 2024 Congress, in San Sebastián, ES.
European Biophysical Societies' Association, United Kingdom
2024 IUPAB Student and Early Career Researcher Poster Award
International Union for Pure and Applied Biophysics, France
2024 Awardee of a Biophysical Society 2025 Travel Award of 750$ to present at the Biophysical Society Annual Meeting, in Los Angeles, USA.
Biophysical Society, United States
2023 Finalist (top-3) in the “Boosting Sustainable Development Goals Initiative – ‘Pitch your Science’” hosted at Ciências Research & Innovation Day 2023
Universidade de Lisboa Faculdade de Ciências, Portugal